USER MOD reduce.3.24.130724 H: found=0, std=0, add=1108, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1107 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 170 SEP H2 : B 170 SEP N : B 169 ASN C :(H bumps) USER MOD NoAdj-H: B 170 SEP H : B 170 SEP N : B 169 ASN C :(H bumps) USER MOD NoAdj-H: B 171 SEP H2 : B 171 SEP N : B 170 SEP C :(H bumps) USER MOD NoAdj-H: B 173 SEP H2 : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 173 SEP H : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 174 SEP H2 : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H2 : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD Set 1.1: A 86 HIS : no HE2:sc= 0.127 K(o=0.13,f=-2.5) USER MOD Set 1.2: A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 74 ASN : amide:sc= -0.0103 K(o=-0.34,f=-1.5) USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -0.328 F(o=-3.4!,f=-0.34) USER MOD Set 2.3: A 77 GLN : amide:sc= -0.0065 K(o=-0.34,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0998 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.47) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.196 K(o=0.2,f=-0.61) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.049) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0.299) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.02 K(o=-1,f=-3.1!) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= -0.01 (180deg=-0.108) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= -0.637 (180deg=-0.656) USER MOD Single : A 57 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-0.71) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.169 F(o=-1.8!,f=-0.17) USER MOD Single : A 60 MET CE :methyl 172:sc= -0.0256 (180deg=-0.161) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.214 K(o=-0.21,f=-1) USER MOD Single : A 87 SER OG : rot 69:sc= 0.91 USER MOD Single : A 90 SER OG : rot 180:sc= 0.011 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 93 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 99 TYR OH : rot -28:sc= 1.22 USER MOD Single : A 101 SER OG : rot -105:sc= 1.24 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -148:sc= -1.04 (180deg=-3.41!) USER MOD Single : A 113 TYR OH : rot -1:sc= 1.02 USER MOD Single : A 115 SER OG : rot 46:sc= 1.21 USER MOD Single : A 116 GLN : amide:sc= 1.06 K(o=1.1,f=-0.00094) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 169 ASN :FLIP amide:sc= -0.23 F(o=-1.1,f=-0.23) USER MOD Single : B 183 MET CE :methyl 154:sc= -0.0282 (180deg=-0.779) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.407 -26.185 -1.851 1.00 41.03 N ATOM 2 CA GLY A 1 -12.944 -26.093 -1.883 1.00 63.22 C ATOM 3 C GLY A 1 -12.505 -24.705 -1.459 1.00 71.22 C ATOM 4 O GLY A 1 -13.267 -23.976 -0.823 1.00 52.12 O ATOM 0 H1 GLY A 1 -14.690 -27.043 -1.335 1.00 41.03 H new ATOM 0 H2 GLY A 1 -14.797 -25.348 -1.372 1.00 41.03 H new ATOM 0 H3 GLY A 1 -14.773 -26.229 -2.823 1.00 41.03 H new ATOM 0 HA2 GLY A 1 -12.509 -26.840 -1.219 1.00 63.22 H new ATOM 0 HA3 GLY A 1 -12.579 -26.308 -2.887 1.00 63.22 H new ATOM 8 N ALA A 2 -11.274 -24.338 -1.797 1.00 12.24 N ATOM 9 CA ALA A 2 -10.673 -23.054 -1.492 1.00 64.31 C ATOM 10 C ALA A 2 -9.697 -22.695 -2.609 1.00 63.11 C ATOM 11 O ALA A 2 -9.200 -23.582 -3.314 1.00 74.44 O ATOM 12 CB ALA A 2 -9.931 -23.148 -0.155 1.00 12.33 C ATOM 0 H ALA A 2 -10.646 -24.955 -2.312 1.00 12.24 H new ATOM 0 HA ALA A 2 -11.441 -22.284 -1.417 1.00 64.31 H new ATOM 0 HB1 ALA A 2 -9.478 -22.185 0.078 1.00 12.33 H new ATOM 0 HB2 ALA A 2 -10.634 -23.418 0.633 1.00 12.33 H new ATOM 0 HB3 ALA A 2 -9.153 -23.908 -0.223 1.00 12.33 H new ATOM 18 N MET A 3 -9.415 -21.401 -2.740 1.00 23.53 N ATOM 19 CA MET A 3 -8.512 -20.787 -3.700 1.00 41.25 C ATOM 20 C MET A 3 -7.961 -19.503 -3.073 1.00 5.04 C ATOM 21 O MET A 3 -8.493 -19.002 -2.074 1.00 12.31 O ATOM 22 CB MET A 3 -9.255 -20.440 -5.010 1.00 23.12 C ATOM 23 CG MET A 3 -9.443 -21.642 -5.944 1.00 12.30 C ATOM 24 SD MET A 3 -7.908 -22.442 -6.507 1.00 73.35 S ATOM 25 CE MET A 3 -7.241 -21.200 -7.651 1.00 25.42 C ATOM 0 H MET A 3 -9.846 -20.706 -2.131 1.00 23.53 H new ATOM 0 HA MET A 3 -7.707 -21.482 -3.941 1.00 41.25 H new ATOM 0 HB2 MET A 3 -10.232 -20.024 -4.765 1.00 23.12 H new ATOM 0 HB3 MET A 3 -8.701 -19.663 -5.537 1.00 23.12 H new ATOM 0 HG2 MET A 3 -10.054 -22.386 -5.432 1.00 12.30 H new ATOM 0 HG3 MET A 3 -10.005 -21.316 -6.819 1.00 12.30 H new ATOM 0 HE1 MET A 3 -6.301 -21.559 -8.070 1.00 25.42 H new ATOM 0 HE2 MET A 3 -7.955 -21.027 -8.457 1.00 25.42 H new ATOM 0 HE3 MET A 3 -7.066 -20.267 -7.114 1.00 25.42 H new ATOM 35 N GLY A 4 -6.889 -18.962 -3.648 1.00 3.50 N ATOM 36 CA GLY A 4 -6.254 -17.728 -3.209 1.00 45.55 C ATOM 37 C GLY A 4 -6.537 -16.730 -4.320 1.00 22.34 C ATOM 38 O GLY A 4 -5.946 -16.853 -5.396 1.00 2.14 O ATOM 0 H GLY A 4 -6.428 -19.384 -4.454 1.00 3.50 H new ATOM 0 HA2 GLY A 4 -6.664 -17.388 -2.258 1.00 45.55 H new ATOM 0 HA3 GLY A 4 -5.182 -17.865 -3.063 1.00 45.55 H new ATOM 42 N LYS A 5 -7.554 -15.882 -4.152 1.00 24.32 N ATOM 43 CA LYS A 5 -7.928 -14.863 -5.131 1.00 53.41 C ATOM 44 C LYS A 5 -7.376 -13.524 -4.658 1.00 13.34 C ATOM 45 O LYS A 5 -7.703 -13.089 -3.553 1.00 31.20 O ATOM 46 CB LYS A 5 -9.442 -14.878 -5.383 1.00 22.11 C ATOM 47 CG LYS A 5 -9.896 -16.285 -5.830 1.00 64.24 C ATOM 48 CD LYS A 5 -11.127 -16.294 -6.740 1.00 61.22 C ATOM 49 CE LYS A 5 -12.400 -15.897 -5.997 1.00 10.32 C ATOM 50 NZ LYS A 5 -13.547 -15.828 -6.919 1.00 22.13 N ATOM 0 H LYS A 5 -8.147 -15.885 -3.322 1.00 24.32 H new ATOM 0 HA LYS A 5 -7.488 -15.069 -6.107 1.00 53.41 H new ATOM 0 HB2 LYS A 5 -9.972 -14.589 -4.475 1.00 22.11 H new ATOM 0 HB3 LYS A 5 -9.698 -14.145 -6.149 1.00 22.11 H new ATOM 0 HG2 LYS A 5 -9.071 -16.771 -6.351 1.00 64.24 H new ATOM 0 HG3 LYS A 5 -10.110 -16.883 -4.944 1.00 64.24 H new ATOM 0 HD2 LYS A 5 -10.966 -15.609 -7.572 1.00 61.22 H new ATOM 0 HD3 LYS A 5 -11.253 -17.289 -7.167 1.00 61.22 H new ATOM 0 HE2 LYS A 5 -12.606 -16.620 -5.208 1.00 10.32 H new ATOM 0 HE3 LYS A 5 -12.258 -14.930 -5.514 1.00 10.32 H new ATOM 0 HZ1 LYS A 5 -14.401 -15.556 -6.391 1.00 22.13 H new ATOM 0 HZ2 LYS A 5 -13.357 -15.121 -7.657 1.00 22.13 H new ATOM 0 HZ3 LYS A 5 -13.694 -16.758 -7.360 1.00 22.13 H new ATOM 64 N THR A 6 -6.547 -12.869 -5.463 1.00 54.41 N ATOM 65 CA THR A 6 -5.954 -11.586 -5.098 1.00 42.45 C ATOM 66 C THR A 6 -6.985 -10.453 -5.034 1.00 3.23 C ATOM 67 O THR A 6 -8.136 -10.600 -5.453 1.00 35.21 O ATOM 68 CB THR A 6 -4.833 -11.230 -6.092 1.00 64.03 C ATOM 69 OG1 THR A 6 -5.369 -11.074 -7.392 1.00 12.30 O ATOM 70 CG2 THR A 6 -3.708 -12.271 -6.105 1.00 11.23 C ATOM 0 H THR A 6 -6.268 -13.210 -6.383 1.00 54.41 H new ATOM 0 HA THR A 6 -5.542 -11.693 -4.095 1.00 42.45 H new ATOM 0 HB THR A 6 -4.394 -10.289 -5.760 1.00 64.03 H new ATOM 0 HG1 THR A 6 -4.650 -10.846 -8.017 1.00 12.30 H new ATOM 0 HG21 THR A 6 -2.944 -11.972 -6.822 1.00 11.23 H new ATOM 0 HG22 THR A 6 -3.265 -12.341 -5.111 1.00 11.23 H new ATOM 0 HG23 THR A 6 -4.114 -13.242 -6.391 1.00 11.23 H new ATOM 78 N PHE A 7 -6.555 -9.271 -4.569 1.00 73.01 N ATOM 79 CA PHE A 7 -7.397 -8.081 -4.470 1.00 55.33 C ATOM 80 C PHE A 7 -8.013 -7.759 -5.847 1.00 32.14 C ATOM 81 O PHE A 7 -9.190 -7.392 -5.915 1.00 33.30 O ATOM 82 CB PHE A 7 -6.604 -6.898 -3.874 1.00 14.11 C ATOM 83 CG PHE A 7 -5.403 -6.437 -4.683 1.00 23.22 C ATOM 84 CD1 PHE A 7 -5.561 -5.523 -5.743 1.00 3.41 C ATOM 85 CD2 PHE A 7 -4.117 -6.925 -4.378 1.00 53.52 C ATOM 86 CE1 PHE A 7 -4.455 -5.136 -6.518 1.00 12.30 C ATOM 87 CE2 PHE A 7 -3.009 -6.518 -5.140 1.00 71.21 C ATOM 88 CZ PHE A 7 -3.178 -5.635 -6.219 1.00 71.43 C ATOM 0 H PHE A 7 -5.599 -9.118 -4.248 1.00 73.01 H new ATOM 0 HA PHE A 7 -8.222 -8.273 -3.784 1.00 55.33 H new ATOM 0 HB2 PHE A 7 -7.283 -6.054 -3.752 1.00 14.11 H new ATOM 0 HB3 PHE A 7 -6.262 -7.179 -2.878 1.00 14.11 H new ATOM 0 HD1 PHE A 7 -6.538 -5.117 -5.961 1.00 3.41 H new ATOM 0 HD2 PHE A 7 -3.983 -7.613 -3.557 1.00 53.52 H new ATOM 0 HE1 PHE A 7 -4.588 -4.454 -7.345 1.00 12.30 H new ATOM 0 HE2 PHE A 7 -2.023 -6.886 -4.895 1.00 71.21 H new ATOM 0 HZ PHE A 7 -2.328 -5.341 -6.817 1.00 71.43 H new ATOM 98 N LYS A 8 -7.253 -7.939 -6.939 1.00 72.35 N ATOM 99 CA LYS A 8 -7.711 -7.697 -8.309 1.00 54.13 C ATOM 100 C LYS A 8 -8.758 -8.733 -8.714 1.00 35.11 C ATOM 101 O LYS A 8 -9.697 -8.419 -9.443 1.00 61.41 O ATOM 102 CB LYS A 8 -6.508 -7.683 -9.269 1.00 63.35 C ATOM 103 CG LYS A 8 -6.883 -7.137 -10.660 1.00 12.53 C ATOM 104 CD LYS A 8 -5.642 -6.912 -11.538 1.00 54.12 C ATOM 105 CE LYS A 8 -5.886 -5.915 -12.683 1.00 11.11 C ATOM 106 NZ LYS A 8 -6.699 -6.450 -13.795 1.00 12.41 N ATOM 0 H LYS A 8 -6.287 -8.262 -6.890 1.00 72.35 H new ATOM 0 HA LYS A 8 -8.190 -6.719 -8.364 1.00 54.13 H new ATOM 0 HB2 LYS A 8 -5.712 -7.072 -8.843 1.00 63.35 H new ATOM 0 HB3 LYS A 8 -6.114 -8.694 -9.371 1.00 63.35 H new ATOM 0 HG2 LYS A 8 -7.557 -7.836 -11.155 1.00 12.53 H new ATOM 0 HG3 LYS A 8 -7.424 -6.198 -10.548 1.00 12.53 H new ATOM 0 HD2 LYS A 8 -4.825 -6.548 -10.915 1.00 54.12 H new ATOM 0 HD3 LYS A 8 -5.323 -7.866 -11.957 1.00 54.12 H new ATOM 0 HE2 LYS A 8 -6.381 -5.031 -12.280 1.00 11.11 H new ATOM 0 HE3 LYS A 8 -4.923 -5.590 -13.077 1.00 11.11 H new ATOM 0 HZ1 LYS A 8 -6.816 -5.717 -14.523 1.00 12.41 H new ATOM 0 HZ2 LYS A 8 -6.221 -7.276 -14.209 1.00 12.41 H new ATOM 0 HZ3 LYS A 8 -7.633 -6.734 -13.437 1.00 12.41 H new ATOM 120 N GLN A 9 -8.630 -9.975 -8.242 1.00 40.32 N ATOM 121 CA GLN A 9 -9.590 -11.018 -8.565 1.00 75.04 C ATOM 122 C GLN A 9 -10.878 -10.875 -7.754 1.00 62.03 C ATOM 123 O GLN A 9 -11.947 -11.101 -8.307 1.00 52.11 O ATOM 124 CB GLN A 9 -8.980 -12.408 -8.348 1.00 75.02 C ATOM 125 CG GLN A 9 -7.948 -12.797 -9.401 1.00 62.02 C ATOM 126 CD GLN A 9 -8.532 -12.765 -10.804 1.00 52.53 C ATOM 127 OE1 GLN A 9 -9.696 -13.089 -11.033 1.00 40.31 O ATOM 128 NE2 GLN A 9 -7.751 -12.344 -11.770 1.00 52.54 N ATOM 0 H GLN A 9 -7.868 -10.277 -7.635 1.00 40.32 H new ATOM 0 HA GLN A 9 -9.844 -10.905 -9.619 1.00 75.04 H new ATOM 0 HB2 GLN A 9 -8.512 -12.440 -7.364 1.00 75.02 H new ATOM 0 HB3 GLN A 9 -9.779 -13.149 -8.345 1.00 75.02 H new ATOM 0 HG2 GLN A 9 -7.098 -12.117 -9.346 1.00 62.02 H new ATOM 0 HG3 GLN A 9 -7.570 -13.797 -9.187 1.00 62.02 H new ATOM 0 HE21 GLN A 9 -6.787 -12.078 -11.567 1.00 52.54 H new ATOM 0 HE22 GLN A 9 -8.107 -12.282 -12.724 1.00 52.54 H new ATOM 137 N ARG A 10 -10.838 -10.475 -6.475 1.00 23.30 N ATOM 138 CA ARG A 10 -12.078 -10.348 -5.690 1.00 73.04 C ATOM 139 C ARG A 10 -12.893 -9.095 -6.040 1.00 21.52 C ATOM 140 O ARG A 10 -14.076 -9.033 -5.712 1.00 42.45 O ATOM 141 CB ARG A 10 -11.819 -10.483 -4.174 1.00 72.52 C ATOM 142 CG ARG A 10 -10.916 -9.415 -3.549 1.00 42.14 C ATOM 143 CD ARG A 10 -11.111 -9.288 -2.032 1.00 54.01 C ATOM 144 NE ARG A 10 -10.735 -10.494 -1.271 1.00 44.32 N ATOM 145 CZ ARG A 10 -10.438 -10.522 0.037 1.00 63.22 C ATOM 146 NH1 ARG A 10 -10.517 -9.430 0.791 1.00 52.02 N ATOM 147 NH2 ARG A 10 -10.038 -11.654 0.589 1.00 74.41 N ATOM 0 H ARG A 10 -9.984 -10.239 -5.970 1.00 23.30 H new ATOM 0 HA ARG A 10 -12.706 -11.191 -5.980 1.00 73.04 H new ATOM 0 HB2 ARG A 10 -12.779 -10.465 -3.659 1.00 72.52 H new ATOM 0 HB3 ARG A 10 -11.375 -11.461 -3.987 1.00 72.52 H new ATOM 0 HG2 ARG A 10 -9.874 -9.658 -3.758 1.00 42.14 H new ATOM 0 HG3 ARG A 10 -11.119 -8.453 -4.019 1.00 42.14 H new ATOM 0 HD2 ARG A 10 -10.521 -8.445 -1.671 1.00 54.01 H new ATOM 0 HD3 ARG A 10 -12.157 -9.056 -1.830 1.00 54.01 H new ATOM 0 HE ARG A 10 -10.698 -11.377 -1.780 1.00 44.32 H new ATOM 0 HH11 ARG A 10 -10.809 -8.545 0.377 1.00 52.02 H new ATOM 0 HH12 ARG A 10 -10.286 -9.478 1.783 1.00 52.02 H new ATOM 0 HH21 ARG A 10 -9.957 -12.498 0.021 1.00 74.41 H new ATOM 0 HH22 ARG A 10 -9.810 -11.684 1.583 1.00 74.41 H new ATOM 161 N ARG A 11 -12.287 -8.088 -6.679 1.00 60.41 N ATOM 162 CA ARG A 11 -12.940 -6.843 -7.088 1.00 33.12 C ATOM 163 C ARG A 11 -12.329 -6.459 -8.435 1.00 55.52 C ATOM 164 O ARG A 11 -11.147 -6.108 -8.469 1.00 54.25 O ATOM 165 CB ARG A 11 -12.756 -5.735 -6.027 1.00 20.40 C ATOM 166 CG ARG A 11 -13.603 -5.935 -4.754 1.00 52.21 C ATOM 167 CD ARG A 11 -13.425 -4.762 -3.774 1.00 72.41 C ATOM 168 NE ARG A 11 -13.997 -5.051 -2.448 1.00 32.11 N ATOM 169 CZ ARG A 11 -15.222 -4.749 -1.996 1.00 23.52 C ATOM 170 NH1 ARG A 11 -16.057 -3.986 -2.689 1.00 13.10 N ATOM 171 NH2 ARG A 11 -15.625 -5.229 -0.826 1.00 63.13 N ATOM 0 H ARG A 11 -11.300 -8.119 -6.932 1.00 60.41 H new ATOM 0 HA ARG A 11 -14.018 -6.975 -7.182 1.00 33.12 H new ATOM 0 HB2 ARG A 11 -11.704 -5.687 -5.746 1.00 20.40 H new ATOM 0 HB3 ARG A 11 -13.011 -4.774 -6.473 1.00 20.40 H new ATOM 0 HG2 ARG A 11 -14.655 -6.029 -5.025 1.00 52.21 H new ATOM 0 HG3 ARG A 11 -13.316 -6.866 -4.266 1.00 52.21 H new ATOM 0 HD2 ARG A 11 -12.364 -4.537 -3.668 1.00 72.41 H new ATOM 0 HD3 ARG A 11 -13.900 -3.872 -4.186 1.00 72.41 H new ATOM 0 HE ARG A 11 -13.386 -5.541 -1.794 1.00 32.11 H new ATOM 0 HH11 ARG A 11 -15.773 -3.611 -3.594 1.00 13.10 H new ATOM 0 HH12 ARG A 11 -16.983 -3.775 -2.317 1.00 13.10 H new ATOM 0 HH21 ARG A 11 -15.004 -5.823 -0.277 1.00 63.13 H new ATOM 0 HH22 ARG A 11 -16.556 -5.003 -0.476 1.00 63.13 H new ATOM 185 N THR A 12 -13.094 -6.577 -9.521 1.00 40.12 N ATOM 186 CA THR A 12 -12.716 -6.267 -10.902 1.00 72.31 C ATOM 187 C THR A 12 -12.484 -4.769 -11.123 1.00 33.42 C ATOM 188 O THR A 12 -12.837 -3.983 -10.255 1.00 52.54 O ATOM 189 CB THR A 12 -13.808 -6.822 -11.820 1.00 0.43 C ATOM 190 OG1 THR A 12 -13.310 -7.008 -13.130 1.00 55.12 O ATOM 191 CG2 THR A 12 -15.086 -5.979 -11.819 1.00 33.24 C ATOM 0 H THR A 12 -14.055 -6.913 -9.456 1.00 40.12 H new ATOM 0 HA THR A 12 -11.760 -6.737 -11.134 1.00 72.31 H new ATOM 0 HB THR A 12 -14.095 -7.792 -11.415 1.00 0.43 H new ATOM 0 HG1 THR A 12 -14.021 -7.365 -13.703 1.00 55.12 H new ATOM 0 HG21 THR A 12 -15.818 -6.428 -12.490 1.00 33.24 H new ATOM 0 HG22 THR A 12 -15.495 -5.939 -10.809 1.00 33.24 H new ATOM 0 HG23 THR A 12 -14.856 -4.969 -12.157 1.00 33.24 H new ATOM 199 N PHE A 13 -11.940 -4.368 -12.285 1.00 44.11 N ATOM 200 CA PHE A 13 -11.624 -2.983 -12.670 1.00 33.12 C ATOM 201 C PHE A 13 -12.715 -1.984 -12.305 1.00 73.23 C ATOM 202 O PHE A 13 -12.406 -0.972 -11.685 1.00 52.41 O ATOM 203 CB PHE A 13 -11.320 -2.875 -14.162 1.00 34.32 C ATOM 204 CG PHE A 13 -10.950 -1.469 -14.607 1.00 41.54 C ATOM 205 CD1 PHE A 13 -9.664 -0.955 -14.346 1.00 61.02 C ATOM 206 CD2 PHE A 13 -11.893 -0.661 -15.278 1.00 4.54 C ATOM 207 CE1 PHE A 13 -9.320 0.341 -14.773 1.00 12.43 C ATOM 208 CE2 PHE A 13 -11.547 0.640 -15.690 1.00 54.21 C ATOM 209 CZ PHE A 13 -10.258 1.140 -15.443 1.00 35.04 C ATOM 0 H PHE A 13 -11.697 -5.035 -13.017 1.00 44.11 H new ATOM 0 HA PHE A 13 -10.737 -2.723 -12.093 1.00 33.12 H new ATOM 0 HB2 PHE A 13 -10.502 -3.552 -14.408 1.00 34.32 H new ATOM 0 HB3 PHE A 13 -12.190 -3.209 -14.727 1.00 34.32 H new ATOM 0 HD1 PHE A 13 -8.940 -1.557 -13.817 1.00 61.02 H new ATOM 0 HD2 PHE A 13 -12.884 -1.042 -15.476 1.00 4.54 H new ATOM 0 HE1 PHE A 13 -8.328 0.723 -14.584 1.00 12.43 H new ATOM 0 HE2 PHE A 13 -12.275 1.255 -16.198 1.00 54.21 H new ATOM 0 HZ PHE A 13 -9.990 2.135 -15.767 1.00 35.04 H new ATOM 219 N GLU A 14 -13.969 -2.262 -12.676 1.00 20.23 N ATOM 220 CA GLU A 14 -15.084 -1.356 -12.398 1.00 4.51 C ATOM 221 C GLU A 14 -15.168 -1.061 -10.896 1.00 60.31 C ATOM 222 O GLU A 14 -15.215 0.094 -10.461 1.00 60.24 O ATOM 223 CB GLU A 14 -16.383 -1.972 -12.929 1.00 55.23 C ATOM 224 CG GLU A 14 -16.484 -1.896 -14.460 1.00 31.11 C ATOM 225 CD GLU A 14 -17.785 -2.528 -14.955 1.00 24.23 C ATOM 226 OE1 GLU A 14 -18.038 -3.718 -14.641 1.00 43.10 O ATOM 227 OE2 GLU A 14 -18.549 -1.878 -15.699 1.00 20.33 O ATOM 0 H GLU A 14 -14.236 -3.112 -13.172 1.00 20.23 H new ATOM 0 HA GLU A 14 -14.923 -0.405 -12.907 1.00 4.51 H new ATOM 0 HB2 GLU A 14 -16.443 -3.014 -12.615 1.00 55.23 H new ATOM 0 HB3 GLU A 14 -17.235 -1.456 -12.485 1.00 55.23 H new ATOM 0 HG2 GLU A 14 -16.436 -0.855 -14.780 1.00 31.11 H new ATOM 0 HG3 GLU A 14 -15.633 -2.407 -14.910 1.00 31.11 H new ATOM 234 N GLN A 15 -15.125 -2.125 -10.099 1.00 21.23 N ATOM 235 CA GLN A 15 -15.182 -2.069 -8.655 1.00 35.05 C ATOM 236 C GLN A 15 -13.891 -1.487 -8.068 1.00 32.34 C ATOM 237 O GLN A 15 -13.924 -0.890 -6.995 1.00 4.33 O ATOM 238 CB GLN A 15 -15.511 -3.481 -8.122 1.00 34.21 C ATOM 239 CG GLN A 15 -16.479 -3.492 -6.930 1.00 4.43 C ATOM 240 CD GLN A 15 -17.678 -2.561 -7.139 1.00 75.11 C ATOM 241 OE1 GLN A 15 -18.426 -2.706 -8.106 1.00 11.04 O ATOM 242 NE2 GLN A 15 -17.841 -1.566 -6.284 1.00 22.21 N ATOM 0 H GLN A 15 -15.047 -3.076 -10.459 1.00 21.23 H new ATOM 0 HA GLN A 15 -15.973 -1.391 -8.335 1.00 35.05 H new ATOM 0 HB2 GLN A 15 -15.941 -4.072 -8.931 1.00 34.21 H new ATOM 0 HB3 GLN A 15 -14.583 -3.972 -7.827 1.00 34.21 H new ATOM 0 HG2 GLN A 15 -16.837 -4.508 -6.766 1.00 4.43 H new ATOM 0 HG3 GLN A 15 -15.944 -3.193 -6.029 1.00 4.43 H new ATOM 0 HE21 GLN A 15 -17.208 -1.467 -5.490 1.00 22.21 H new ATOM 0 HE22 GLN A 15 -18.600 -0.897 -6.418 1.00 22.21 H new ATOM 251 N ARG A 16 -12.738 -1.678 -8.725 1.00 12.52 N ATOM 252 CA ARG A 16 -11.456 -1.162 -8.253 1.00 73.03 C ATOM 253 C ARG A 16 -11.487 0.350 -8.294 1.00 63.01 C ATOM 254 O ARG A 16 -11.237 0.968 -7.265 1.00 33.02 O ATOM 255 CB ARG A 16 -10.262 -1.623 -9.119 1.00 43.55 C ATOM 256 CG ARG A 16 -10.139 -3.138 -9.298 1.00 74.13 C ATOM 257 CD ARG A 16 -8.810 -3.762 -8.896 1.00 72.02 C ATOM 258 NE ARG A 16 -8.976 -4.460 -7.621 1.00 60.43 N ATOM 259 CZ ARG A 16 -8.952 -3.875 -6.430 1.00 64.31 C ATOM 260 NH1 ARG A 16 -8.612 -2.600 -6.313 1.00 54.14 N ATOM 261 NH2 ARG A 16 -9.285 -4.583 -5.362 1.00 14.23 N ATOM 0 H ARG A 16 -12.674 -2.197 -9.601 1.00 12.52 H new ATOM 0 HA ARG A 16 -11.317 -1.548 -7.243 1.00 73.03 H new ATOM 0 HB2 ARG A 16 -10.347 -1.162 -10.103 1.00 43.55 H new ATOM 0 HB3 ARG A 16 -9.342 -1.249 -8.670 1.00 43.55 H new ATOM 0 HG2 ARG A 16 -10.929 -3.616 -8.719 1.00 74.13 H new ATOM 0 HG3 ARG A 16 -10.324 -3.374 -10.346 1.00 74.13 H new ATOM 0 HD2 ARG A 16 -8.473 -4.458 -9.665 1.00 72.02 H new ATOM 0 HD3 ARG A 16 -8.044 -2.991 -8.806 1.00 72.02 H new ATOM 0 HE ARG A 16 -9.121 -5.469 -7.650 1.00 60.43 H new ATOM 0 HH11 ARG A 16 -8.366 -2.060 -7.142 1.00 54.14 H new ATOM 0 HH12 ARG A 16 -8.596 -2.159 -5.394 1.00 54.14 H new ATOM 0 HH21 ARG A 16 -9.554 -5.562 -5.463 1.00 14.23 H new ATOM 0 HH22 ARG A 16 -9.272 -4.150 -4.439 1.00 14.23 H new ATOM 275 N VAL A 17 -11.826 0.939 -9.439 1.00 24.24 N ATOM 276 CA VAL A 17 -11.846 2.386 -9.571 1.00 4.33 C ATOM 277 C VAL A 17 -12.944 2.994 -8.703 1.00 2.24 C ATOM 278 O VAL A 17 -12.716 4.034 -8.082 1.00 12.41 O ATOM 279 CB VAL A 17 -11.889 2.788 -11.058 1.00 24.03 C ATOM 280 CG1 VAL A 17 -10.692 2.147 -11.789 1.00 23.32 C ATOM 281 CG2 VAL A 17 -13.188 2.416 -11.784 1.00 55.10 C ATOM 0 H VAL A 17 -12.089 0.434 -10.285 1.00 24.24 H new ATOM 0 HA VAL A 17 -10.919 2.811 -9.185 1.00 4.33 H new ATOM 0 HB VAL A 17 -11.838 3.877 -11.079 1.00 24.03 H new ATOM 0 HG11 VAL A 17 -10.716 2.427 -12.842 1.00 23.32 H new ATOM 0 HG12 VAL A 17 -9.762 2.498 -11.341 1.00 23.32 H new ATOM 0 HG13 VAL A 17 -10.750 1.062 -11.701 1.00 23.32 H new ATOM 0 HG21 VAL A 17 -13.128 2.737 -12.824 1.00 55.10 H new ATOM 0 HG22 VAL A 17 -13.330 1.336 -11.745 1.00 55.10 H new ATOM 0 HG23 VAL A 17 -14.030 2.910 -11.299 1.00 55.10 H new ATOM 291 N GLU A 18 -14.093 2.322 -8.586 1.00 35.33 N ATOM 292 CA GLU A 18 -15.188 2.800 -7.756 1.00 74.43 C ATOM 293 C GLU A 18 -14.702 2.842 -6.301 1.00 1.41 C ATOM 294 O GLU A 18 -14.986 3.794 -5.580 1.00 61.22 O ATOM 295 CB GLU A 18 -16.408 1.886 -7.951 1.00 1.05 C ATOM 296 CG GLU A 18 -17.529 2.239 -6.969 1.00 43.10 C ATOM 297 CD GLU A 18 -18.888 1.696 -7.401 1.00 24.41 C ATOM 298 OE1 GLU A 18 -19.462 2.223 -8.378 1.00 55.22 O ATOM 299 OE2 GLU A 18 -19.437 0.785 -6.736 1.00 52.33 O ATOM 0 H GLU A 18 -14.284 1.440 -9.062 1.00 35.33 H new ATOM 0 HA GLU A 18 -15.498 3.806 -8.038 1.00 74.43 H new ATOM 0 HB2 GLU A 18 -16.775 1.978 -8.973 1.00 1.05 H new ATOM 0 HB3 GLU A 18 -16.113 0.846 -7.811 1.00 1.05 H new ATOM 0 HG2 GLU A 18 -17.281 1.843 -5.984 1.00 43.10 H new ATOM 0 HG3 GLU A 18 -17.591 3.323 -6.870 1.00 43.10 H new ATOM 306 N ASP A 19 -13.932 1.843 -5.867 1.00 14.25 N ATOM 307 CA ASP A 19 -13.396 1.782 -4.515 1.00 12.14 C ATOM 308 C ASP A 19 -12.427 2.941 -4.263 1.00 22.22 C ATOM 309 O ASP A 19 -12.495 3.550 -3.189 1.00 63.20 O ATOM 310 CB ASP A 19 -12.728 0.421 -4.299 1.00 13.11 C ATOM 311 CG ASP A 19 -12.069 0.267 -2.939 1.00 61.10 C ATOM 312 OD1 ASP A 19 -12.640 0.720 -1.921 1.00 75.32 O ATOM 313 OD2 ASP A 19 -11.025 -0.427 -2.897 1.00 32.13 O ATOM 0 H ASP A 19 -13.664 1.051 -6.451 1.00 14.25 H new ATOM 0 HA ASP A 19 -14.207 1.886 -3.794 1.00 12.14 H new ATOM 0 HB2 ASP A 19 -13.476 -0.363 -4.420 1.00 13.11 H new ATOM 0 HB3 ASP A 19 -11.978 0.269 -5.075 1.00 13.11 H new ATOM 318 N VAL A 20 -11.523 3.256 -5.209 1.00 14.23 N ATOM 319 CA VAL A 20 -10.583 4.372 -5.022 1.00 23.41 C ATOM 320 C VAL A 20 -11.343 5.684 -4.940 1.00 75.24 C ATOM 321 O VAL A 20 -11.164 6.393 -3.951 1.00 13.21 O ATOM 322 CB VAL A 20 -9.319 4.365 -5.919 1.00 44.21 C ATOM 323 CG1 VAL A 20 -9.467 3.797 -7.306 1.00 15.23 C ATOM 324 CG2 VAL A 20 -8.609 5.725 -6.020 1.00 52.22 C ATOM 0 H VAL A 20 -11.425 2.762 -6.096 1.00 14.23 H new ATOM 0 HA VAL A 20 -10.102 4.222 -4.055 1.00 23.41 H new ATOM 0 HB VAL A 20 -8.700 3.664 -5.360 1.00 44.21 H new ATOM 0 HG11 VAL A 20 -8.511 3.852 -7.826 1.00 15.23 H new ATOM 0 HG12 VAL A 20 -9.785 2.756 -7.241 1.00 15.23 H new ATOM 0 HG13 VAL A 20 -10.213 4.371 -7.856 1.00 15.23 H new ATOM 0 HG21 VAL A 20 -7.736 5.632 -6.666 1.00 52.22 H new ATOM 0 HG22 VAL A 20 -9.294 6.463 -6.439 1.00 52.22 H new ATOM 0 HG23 VAL A 20 -8.294 6.045 -5.027 1.00 52.22 H new ATOM 334 N ARG A 21 -12.196 6.020 -5.914 1.00 15.24 N ATOM 335 CA ARG A 21 -12.927 7.289 -5.852 1.00 33.54 C ATOM 336 C ARG A 21 -13.765 7.392 -4.578 1.00 13.02 C ATOM 337 O ARG A 21 -13.721 8.429 -3.928 1.00 4.24 O ATOM 338 CB ARG A 21 -13.736 7.542 -7.138 1.00 40.44 C ATOM 339 CG ARG A 21 -14.848 6.529 -7.432 1.00 62.13 C ATOM 340 CD ARG A 21 -16.230 6.880 -6.857 1.00 42.24 C ATOM 341 NE ARG A 21 -16.942 7.786 -7.763 1.00 13.41 N ATOM 342 CZ ARG A 21 -17.651 7.410 -8.832 1.00 14.13 C ATOM 343 NH1 ARG A 21 -18.123 6.172 -8.927 1.00 43.44 N ATOM 344 NH2 ARG A 21 -17.874 8.277 -9.808 1.00 32.22 N ATOM 0 H ARG A 21 -12.394 5.447 -6.735 1.00 15.24 H new ATOM 0 HA ARG A 21 -12.196 8.096 -5.796 1.00 33.54 H new ATOM 0 HB2 ARG A 21 -14.181 8.535 -7.076 1.00 40.44 H new ATOM 0 HB3 ARG A 21 -13.047 7.553 -7.983 1.00 40.44 H new ATOM 0 HG2 ARG A 21 -14.940 6.420 -8.513 1.00 62.13 H new ATOM 0 HG3 ARG A 21 -14.545 5.559 -7.038 1.00 62.13 H new ATOM 0 HD2 ARG A 21 -16.812 5.970 -6.710 1.00 42.24 H new ATOM 0 HD3 ARG A 21 -16.117 7.348 -5.879 1.00 42.24 H new ATOM 0 HE ARG A 21 -16.892 8.785 -7.561 1.00 13.41 H new ATOM 0 HH11 ARG A 21 -17.945 5.500 -8.181 1.00 43.44 H new ATOM 0 HH12 ARG A 21 -18.663 5.894 -9.746 1.00 43.44 H new ATOM 0 HH21 ARG A 21 -17.505 9.226 -9.741 1.00 32.22 H new ATOM 0 HH22 ARG A 21 -18.414 7.996 -10.626 1.00 32.22 H new ATOM 358 N LEU A 22 -14.465 6.327 -4.168 1.00 32.25 N ATOM 359 CA LEU A 22 -15.290 6.327 -2.965 1.00 73.43 C ATOM 360 C LEU A 22 -14.439 6.735 -1.769 1.00 31.12 C ATOM 361 O LEU A 22 -14.769 7.691 -1.064 1.00 33.11 O ATOM 362 CB LEU A 22 -15.896 4.928 -2.767 1.00 40.41 C ATOM 363 CG LEU A 22 -17.192 4.690 -3.565 1.00 71.12 C ATOM 364 CD1 LEU A 22 -17.541 3.202 -3.526 1.00 41.43 C ATOM 365 CD2 LEU A 22 -18.368 5.488 -2.995 1.00 64.12 C ATOM 0 H LEU A 22 -14.471 5.438 -4.668 1.00 32.25 H new ATOM 0 HA LEU A 22 -16.105 7.044 -3.064 1.00 73.43 H new ATOM 0 HB2 LEU A 22 -15.159 4.179 -3.058 1.00 40.41 H new ATOM 0 HB3 LEU A 22 -16.101 4.778 -1.707 1.00 40.41 H new ATOM 0 HG LEU A 22 -17.019 5.023 -4.588 1.00 71.12 H new ATOM 0 HD11 LEU A 22 -18.458 3.028 -4.090 1.00 41.43 H new ATOM 0 HD12 LEU A 22 -16.728 2.626 -3.969 1.00 41.43 H new ATOM 0 HD13 LEU A 22 -17.686 2.889 -2.492 1.00 41.43 H new ATOM 0 HD21 LEU A 22 -19.262 5.291 -3.587 1.00 64.12 H new ATOM 0 HD22 LEU A 22 -18.544 5.189 -1.962 1.00 64.12 H new ATOM 0 HD23 LEU A 22 -18.136 6.553 -3.030 1.00 64.12 H new ATOM 377 N ILE A 23 -13.323 6.033 -1.553 1.00 34.22 N ATOM 378 CA ILE A 23 -12.425 6.342 -0.449 1.00 64.43 C ATOM 379 C ILE A 23 -11.890 7.766 -0.624 1.00 41.02 C ATOM 380 O ILE A 23 -11.800 8.476 0.365 1.00 23.43 O ATOM 381 CB ILE A 23 -11.319 5.271 -0.348 1.00 43.42 C ATOM 382 CG1 ILE A 23 -11.867 3.919 0.178 1.00 41.10 C ATOM 383 CG2 ILE A 23 -10.099 5.689 0.486 1.00 0.11 C ATOM 384 CD1 ILE A 23 -12.379 3.902 1.625 1.00 21.54 C ATOM 0 H ILE A 23 -13.024 5.248 -2.131 1.00 34.22 H new ATOM 0 HA ILE A 23 -12.955 6.314 0.503 1.00 64.43 H new ATOM 0 HB ILE A 23 -10.972 5.152 -1.375 1.00 43.42 H new ATOM 0 HG12 ILE A 23 -12.681 3.604 -0.475 1.00 41.10 H new ATOM 0 HG13 ILE A 23 -11.078 3.173 0.087 1.00 41.10 H new ATOM 0 HG21 ILE A 23 -9.373 4.876 0.502 1.00 0.11 H new ATOM 0 HG22 ILE A 23 -9.642 6.574 0.044 1.00 0.11 H new ATOM 0 HG23 ILE A 23 -10.415 5.914 1.505 1.00 0.11 H new ATOM 0 HD11 ILE A 23 -12.735 2.902 1.873 1.00 21.54 H new ATOM 0 HD12 ILE A 23 -11.569 4.177 2.301 1.00 21.54 H new ATOM 0 HD13 ILE A 23 -13.197 4.615 1.730 1.00 21.54 H new ATOM 396 N ARG A 24 -11.561 8.227 -1.836 1.00 62.14 N ATOM 397 CA ARG A 24 -11.057 9.588 -2.046 1.00 2.35 C ATOM 398 C ARG A 24 -12.111 10.635 -1.686 1.00 3.12 C ATOM 399 O ARG A 24 -11.730 11.765 -1.394 1.00 24.54 O ATOM 400 CB ARG A 24 -10.577 9.805 -3.489 1.00 64.52 C ATOM 401 CG ARG A 24 -9.456 8.846 -3.931 1.00 54.22 C ATOM 402 CD ARG A 24 -8.168 9.548 -4.343 1.00 52.50 C ATOM 403 NE ARG A 24 -7.480 10.167 -3.195 1.00 42.12 N ATOM 404 CZ ARG A 24 -7.030 11.429 -3.125 1.00 1.31 C ATOM 405 NH1 ARG A 24 -7.202 12.284 -4.126 1.00 24.25 N ATOM 406 NH2 ARG A 24 -6.394 11.821 -2.033 1.00 14.23 N ATOM 0 H ARG A 24 -11.635 7.674 -2.690 1.00 62.14 H new ATOM 0 HA ARG A 24 -10.202 9.709 -1.381 1.00 2.35 H new ATOM 0 HB2 ARG A 24 -11.425 9.690 -4.164 1.00 64.52 H new ATOM 0 HB3 ARG A 24 -10.224 10.831 -3.592 1.00 64.52 H new ATOM 0 HG2 ARG A 24 -9.238 8.158 -3.115 1.00 54.22 H new ATOM 0 HG3 ARG A 24 -9.814 8.245 -4.767 1.00 54.22 H new ATOM 0 HD2 ARG A 24 -7.501 8.830 -4.820 1.00 52.50 H new ATOM 0 HD3 ARG A 24 -8.395 10.314 -5.085 1.00 52.50 H new ATOM 0 HE ARG A 24 -7.332 9.579 -2.375 1.00 42.12 H new ATOM 0 HH11 ARG A 24 -7.686 11.987 -4.973 1.00 24.25 H new ATOM 0 HH12 ARG A 24 -6.850 13.238 -4.048 1.00 24.25 H new ATOM 0 HH21 ARG A 24 -6.253 11.168 -1.263 1.00 14.23 H new ATOM 0 HH22 ARG A 24 -6.045 12.777 -1.962 1.00 14.23 H new ATOM 420 N GLU A 25 -13.404 10.316 -1.726 1.00 72.40 N ATOM 421 CA GLU A 25 -14.448 11.265 -1.364 1.00 43.41 C ATOM 422 C GLU A 25 -14.564 11.332 0.166 1.00 40.43 C ATOM 423 O GLU A 25 -14.512 12.431 0.726 1.00 15.42 O ATOM 424 CB GLU A 25 -15.796 10.913 -2.021 1.00 51.32 C ATOM 425 CG GLU A 25 -15.836 11.098 -3.549 1.00 51.41 C ATOM 426 CD GLU A 25 -15.589 12.536 -4.013 1.00 75.54 C ATOM 427 OE1 GLU A 25 -14.415 12.951 -4.135 1.00 55.44 O ATOM 428 OE2 GLU A 25 -16.567 13.257 -4.338 1.00 1.01 O ATOM 0 H GLU A 25 -13.752 9.400 -2.008 1.00 72.40 H new ATOM 0 HA GLU A 25 -14.173 12.250 -1.742 1.00 43.41 H new ATOM 0 HB2 GLU A 25 -16.038 9.876 -1.788 1.00 51.32 H new ATOM 0 HB3 GLU A 25 -16.575 11.531 -1.574 1.00 51.32 H new ATOM 0 HG2 GLU A 25 -15.087 10.448 -4.002 1.00 51.41 H new ATOM 0 HG3 GLU A 25 -16.808 10.771 -3.918 1.00 51.41 H new ATOM 435 N GLN A 26 -14.719 10.190 0.855 1.00 42.02 N ATOM 436 CA GLN A 26 -14.859 10.156 2.324 1.00 43.00 C ATOM 437 C GLN A 26 -13.554 10.388 3.098 1.00 61.10 C ATOM 438 O GLN A 26 -13.586 10.959 4.188 1.00 75.54 O ATOM 439 CB GLN A 26 -15.570 8.878 2.788 1.00 24.24 C ATOM 440 CG GLN A 26 -14.879 7.574 2.388 1.00 71.40 C ATOM 441 CD GLN A 26 -15.849 6.405 2.495 1.00 61.20 C ATOM 442 OE1 GLN A 26 -16.574 6.110 1.544 1.00 33.23 O ATOM 443 NE2 GLN A 26 -15.904 5.772 3.650 1.00 63.22 N ATOM 0 H GLN A 26 -14.751 9.270 0.416 1.00 42.02 H new ATOM 0 HA GLN A 26 -15.486 11.013 2.569 1.00 43.00 H new ATOM 0 HB2 GLN A 26 -15.662 8.905 3.874 1.00 24.24 H new ATOM 0 HB3 GLN A 26 -16.582 8.875 2.382 1.00 24.24 H new ATOM 0 HG2 GLN A 26 -14.504 7.652 1.367 1.00 71.40 H new ATOM 0 HG3 GLN A 26 -14.017 7.400 3.032 1.00 71.40 H new ATOM 0 HE21 GLN A 26 -15.285 6.048 4.413 1.00 63.22 H new ATOM 0 HE22 GLN A 26 -16.565 5.006 3.781 1.00 63.22 H new ATOM 452 N HIS A 27 -12.413 9.975 2.553 1.00 23.14 N ATOM 453 CA HIS A 27 -11.070 10.125 3.111 1.00 1.05 C ATOM 454 C HIS A 27 -10.343 10.967 2.051 1.00 32.52 C ATOM 455 O HIS A 27 -9.519 10.453 1.284 1.00 22.24 O ATOM 456 CB HIS A 27 -10.383 8.766 3.337 1.00 31.15 C ATOM 457 CG HIS A 27 -11.011 7.857 4.358 1.00 34.41 C ATOM 458 ND1 HIS A 27 -10.908 7.975 5.725 1.00 61.14 N ATOM 459 CD2 HIS A 27 -11.696 6.704 4.096 1.00 35.45 C ATOM 460 CE1 HIS A 27 -11.539 6.927 6.278 1.00 63.12 C ATOM 461 NE2 HIS A 27 -12.049 6.130 5.320 1.00 24.35 N ATOM 0 H HIS A 27 -12.400 9.496 1.653 1.00 23.14 H new ATOM 0 HA HIS A 27 -11.071 10.591 4.096 1.00 1.05 H new ATOM 0 HB2 HIS A 27 -10.351 8.238 2.384 1.00 31.15 H new ATOM 0 HB3 HIS A 27 -9.351 8.951 3.634 1.00 31.15 H new ATOM 0 HD2 HIS A 27 -11.924 6.307 3.118 1.00 35.45 H new ATOM 0 HE1 HIS A 27 -11.625 6.749 7.340 1.00 63.12 H new ATOM 0 HE2 HIS A 27 -12.587 5.275 5.460 1.00 24.35 H new ATOM 469 N PRO A 28 -10.637 12.275 1.959 1.00 43.10 N ATOM 470 CA PRO A 28 -10.044 13.127 0.943 1.00 2.34 C ATOM 471 C PRO A 28 -8.555 13.340 1.046 1.00 24.42 C ATOM 472 O PRO A 28 -7.911 13.444 0.006 1.00 55.21 O ATOM 473 CB PRO A 28 -10.794 14.454 1.027 1.00 53.33 C ATOM 474 CG PRO A 28 -11.196 14.511 2.497 1.00 63.53 C ATOM 475 CD PRO A 28 -11.554 13.052 2.780 1.00 1.35 C ATOM 0 HA PRO A 28 -10.147 12.630 -0.022 1.00 2.34 H new ATOM 0 HB2 PRO A 28 -10.162 15.296 0.746 1.00 53.33 H new ATOM 0 HB3 PRO A 28 -11.662 14.473 0.368 1.00 53.33 H new ATOM 0 HG2 PRO A 28 -10.381 14.862 3.130 1.00 63.53 H new ATOM 0 HG3 PRO A 28 -12.041 15.179 2.664 1.00 63.53 H new ATOM 0 HD2 PRO A 28 -11.436 12.814 3.837 1.00 1.35 H new ATOM 0 HD3 PRO A 28 -12.592 12.842 2.520 1.00 1.35 H new ATOM 483 N THR A 29 -8.015 13.335 2.254 1.00 62.50 N ATOM 484 CA THR A 29 -6.615 13.553 2.560 1.00 13.44 C ATOM 485 C THR A 29 -5.799 12.259 2.547 1.00 34.53 C ATOM 486 O THR A 29 -4.626 12.280 2.924 1.00 11.04 O ATOM 487 CB THR A 29 -6.597 14.252 3.934 1.00 31.13 C ATOM 488 OG1 THR A 29 -7.509 13.609 4.815 1.00 21.14 O ATOM 489 CG2 THR A 29 -7.052 15.709 3.785 1.00 55.12 C ATOM 0 H THR A 29 -8.574 13.170 3.091 1.00 62.50 H new ATOM 0 HA THR A 29 -6.138 14.169 1.798 1.00 13.44 H new ATOM 0 HB THR A 29 -5.582 14.205 4.328 1.00 31.13 H new ATOM 0 HG1 THR A 29 -7.492 14.056 5.687 1.00 21.14 H new ATOM 0 HG21 THR A 29 -7.037 16.196 4.760 1.00 55.12 H new ATOM 0 HG22 THR A 29 -6.379 16.233 3.107 1.00 55.12 H new ATOM 0 HG23 THR A 29 -8.065 15.735 3.382 1.00 55.12 H new ATOM 497 N LYS A 30 -6.370 11.126 2.106 1.00 13.12 N ATOM 498 CA LYS A 30 -5.655 9.854 2.074 1.00 12.12 C ATOM 499 C LYS A 30 -5.305 9.478 0.648 1.00 54.13 C ATOM 500 O LYS A 30 -6.083 9.677 -0.288 1.00 51.14 O ATOM 501 CB LYS A 30 -6.462 8.746 2.762 1.00 20.33 C ATOM 502 CG LYS A 30 -6.700 8.955 4.268 1.00 23.54 C ATOM 503 CD LYS A 30 -5.425 9.337 5.028 1.00 44.30 C ATOM 504 CE LYS A 30 -5.374 8.935 6.501 1.00 43.42 C ATOM 505 NZ LYS A 30 -6.658 9.025 7.235 1.00 35.12 N ATOM 0 H LYS A 30 -7.330 11.073 1.766 1.00 13.12 H new ATOM 0 HA LYS A 30 -4.725 9.971 2.631 1.00 12.12 H new ATOM 0 HB2 LYS A 30 -7.428 8.659 2.265 1.00 20.33 H new ATOM 0 HB3 LYS A 30 -5.944 7.798 2.619 1.00 20.33 H new ATOM 0 HG2 LYS A 30 -7.447 9.736 4.407 1.00 23.54 H new ATOM 0 HG3 LYS A 30 -7.111 8.041 4.696 1.00 23.54 H new ATOM 0 HD2 LYS A 30 -4.574 8.884 4.519 1.00 44.30 H new ATOM 0 HD3 LYS A 30 -5.298 10.418 4.963 1.00 44.30 H new ATOM 0 HE2 LYS A 30 -5.010 7.910 6.567 1.00 43.42 H new ATOM 0 HE3 LYS A 30 -4.643 9.566 7.006 1.00 43.42 H new ATOM 0 HZ1 LYS A 30 -6.470 9.101 8.255 1.00 35.12 H new ATOM 0 HZ2 LYS A 30 -7.182 9.864 6.916 1.00 35.12 H new ATOM 0 HZ3 LYS A 30 -7.224 8.172 7.050 1.00 35.12 H new ATOM 519 N ILE A 31 -4.127 8.887 0.500 1.00 4.24 N ATOM 520 CA ILE A 31 -3.540 8.449 -0.746 1.00 22.53 C ATOM 521 C ILE A 31 -3.591 6.912 -0.756 1.00 73.31 C ATOM 522 O ILE A 31 -2.876 6.281 0.032 1.00 60.22 O ATOM 523 CB ILE A 31 -2.114 9.032 -0.900 1.00 41.51 C ATOM 524 CG1 ILE A 31 -2.050 10.579 -0.825 1.00 23.32 C ATOM 525 CG2 ILE A 31 -1.519 8.531 -2.224 1.00 61.23 C ATOM 526 CD1 ILE A 31 -2.769 11.335 -1.948 1.00 22.41 C ATOM 0 H ILE A 31 -3.524 8.692 1.299 1.00 4.24 H new ATOM 0 HA ILE A 31 -4.092 8.815 -1.612 1.00 22.53 H new ATOM 0 HB ILE A 31 -1.528 8.681 -0.050 1.00 41.51 H new ATOM 0 HG12 ILE A 31 -2.474 10.895 0.128 1.00 23.32 H new ATOM 0 HG13 ILE A 31 -1.002 10.880 -0.824 1.00 23.32 H new ATOM 0 HG21 ILE A 31 -0.514 8.934 -2.347 1.00 61.23 H new ATOM 0 HG22 ILE A 31 -1.475 7.442 -2.214 1.00 61.23 H new ATOM 0 HG23 ILE A 31 -2.146 8.861 -3.053 1.00 61.23 H new ATOM 0 HD11 ILE A 31 -2.658 12.408 -1.793 1.00 22.41 H new ATOM 0 HD12 ILE A 31 -2.333 11.060 -2.909 1.00 22.41 H new ATOM 0 HD13 ILE A 31 -3.828 11.075 -1.942 1.00 22.41 H new ATOM 538 N PRO A 32 -4.455 6.304 -1.593 1.00 14.32 N ATOM 539 CA PRO A 32 -4.606 4.860 -1.719 1.00 40.42 C ATOM 540 C PRO A 32 -3.412 4.237 -2.456 1.00 61.31 C ATOM 541 O PRO A 32 -3.241 4.405 -3.668 1.00 23.33 O ATOM 542 CB PRO A 32 -5.946 4.653 -2.432 1.00 23.32 C ATOM 543 CG PRO A 32 -6.176 5.933 -3.233 1.00 13.33 C ATOM 544 CD PRO A 32 -5.338 6.991 -2.528 1.00 74.13 C ATOM 0 HA PRO A 32 -4.613 4.354 -0.753 1.00 40.42 H new ATOM 0 HB2 PRO A 32 -5.914 3.781 -3.085 1.00 23.32 H new ATOM 0 HB3 PRO A 32 -6.751 4.486 -1.716 1.00 23.32 H new ATOM 0 HG2 PRO A 32 -5.867 5.811 -4.271 1.00 13.33 H new ATOM 0 HG3 PRO A 32 -7.231 6.208 -3.245 1.00 13.33 H new ATOM 0 HD2 PRO A 32 -4.758 7.564 -3.251 1.00 74.13 H new ATOM 0 HD3 PRO A 32 -5.979 7.698 -2.001 1.00 74.13 H new ATOM 552 N VAL A 33 -2.589 3.491 -1.716 1.00 53.50 N ATOM 553 CA VAL A 33 -1.397 2.819 -2.215 1.00 64.10 C ATOM 554 C VAL A 33 -1.456 1.318 -1.918 1.00 51.22 C ATOM 555 O VAL A 33 -2.084 0.895 -0.941 1.00 21.30 O ATOM 556 CB VAL A 33 -0.158 3.507 -1.604 1.00 11.23 C ATOM 557 CG1 VAL A 33 -0.038 3.290 -0.088 1.00 15.52 C ATOM 558 CG2 VAL A 33 1.160 3.051 -2.231 1.00 15.34 C ATOM 0 H VAL A 33 -2.743 3.336 -0.720 1.00 53.50 H new ATOM 0 HA VAL A 33 -1.334 2.904 -3.300 1.00 64.10 H new ATOM 0 HB VAL A 33 -0.322 4.563 -1.820 1.00 11.23 H new ATOM 0 HG11 VAL A 33 0.852 3.798 0.283 1.00 15.52 H new ATOM 0 HG12 VAL A 33 -0.920 3.695 0.408 1.00 15.52 H new ATOM 0 HG13 VAL A 33 0.039 2.223 0.122 1.00 15.52 H new ATOM 0 HG21 VAL A 33 1.989 3.574 -1.755 1.00 15.34 H new ATOM 0 HG22 VAL A 33 1.278 1.977 -2.088 1.00 15.34 H new ATOM 0 HG23 VAL A 33 1.153 3.277 -3.297 1.00 15.34 H new ATOM 568 N ILE A 34 -0.834 0.507 -2.766 1.00 0.41 N ATOM 569 CA ILE A 34 -0.746 -0.936 -2.643 1.00 40.43 C ATOM 570 C ILE A 34 0.709 -1.190 -2.281 1.00 42.52 C ATOM 571 O ILE A 34 1.606 -0.726 -2.985 1.00 75.35 O ATOM 572 CB ILE A 34 -1.176 -1.651 -3.940 1.00 2.53 C ATOM 573 CG1 ILE A 34 -2.589 -1.245 -4.403 1.00 42.31 C ATOM 574 CG2 ILE A 34 -1.100 -3.180 -3.776 1.00 34.42 C ATOM 575 CD1 ILE A 34 -3.701 -1.333 -3.356 1.00 20.24 C ATOM 0 H ILE A 34 -0.356 0.858 -3.596 1.00 0.41 H new ATOM 0 HA ILE A 34 -1.423 -1.335 -1.888 1.00 40.43 H new ATOM 0 HB ILE A 34 -0.474 -1.334 -4.712 1.00 2.53 H new ATOM 0 HG12 ILE A 34 -2.546 -0.220 -4.770 1.00 42.31 H new ATOM 0 HG13 ILE A 34 -2.865 -1.875 -5.248 1.00 42.31 H new ATOM 0 HG21 ILE A 34 -1.408 -3.661 -4.704 1.00 34.42 H new ATOM 0 HG22 ILE A 34 -0.076 -3.470 -3.539 1.00 34.42 H new ATOM 0 HG23 ILE A 34 -1.762 -3.493 -2.968 1.00 34.42 H new ATOM 0 HD11 ILE A 34 -4.646 -1.022 -3.802 1.00 20.24 H new ATOM 0 HD12 ILE A 34 -3.787 -2.360 -3.002 1.00 20.24 H new ATOM 0 HD13 ILE A 34 -3.463 -0.679 -2.517 1.00 20.24 H new ATOM 587 N ILE A 35 0.933 -1.894 -1.176 1.00 20.12 N ATOM 588 CA ILE A 35 2.248 -2.232 -0.657 1.00 20.14 C ATOM 589 C ILE A 35 2.311 -3.749 -0.748 1.00 23.02 C ATOM 590 O ILE A 35 1.596 -4.437 -0.015 1.00 64.25 O ATOM 591 CB ILE A 35 2.412 -1.671 0.786 1.00 52.31 C ATOM 592 CG1 ILE A 35 1.978 -0.180 0.815 1.00 24.43 C ATOM 593 CG2 ILE A 35 3.855 -1.812 1.295 1.00 11.42 C ATOM 594 CD1 ILE A 35 2.255 0.557 2.124 1.00 24.40 C ATOM 0 H ILE A 35 0.174 -2.257 -0.599 1.00 20.12 H new ATOM 0 HA ILE A 35 3.075 -1.791 -1.213 1.00 20.14 H new ATOM 0 HB ILE A 35 1.774 -2.255 1.450 1.00 52.31 H new ATOM 0 HG12 ILE A 35 2.488 0.345 0.007 1.00 24.43 H new ATOM 0 HG13 ILE A 35 0.910 -0.126 0.606 1.00 24.43 H new ATOM 0 HG21 ILE A 35 3.926 -1.408 2.305 1.00 11.42 H new ATOM 0 HG22 ILE A 35 4.136 -2.865 1.304 1.00 11.42 H new ATOM 0 HG23 ILE A 35 4.528 -1.263 0.637 1.00 11.42 H new ATOM 0 HD11 ILE A 35 1.915 1.589 2.039 1.00 24.40 H new ATOM 0 HD12 ILE A 35 1.723 0.065 2.938 1.00 24.40 H new ATOM 0 HD13 ILE A 35 3.325 0.543 2.330 1.00 24.40 H new ATOM 606 N GLU A 36 3.140 -4.281 -1.643 1.00 61.43 N ATOM 607 CA GLU A 36 3.304 -5.691 -1.849 1.00 4.54 C ATOM 608 C GLU A 36 4.767 -6.107 -1.743 1.00 43.42 C ATOM 609 O GLU A 36 5.696 -5.309 -1.848 1.00 72.12 O ATOM 610 CB GLU A 36 2.712 -6.038 -3.209 1.00 71.34 C ATOM 611 CG GLU A 36 3.569 -5.644 -4.412 1.00 35.13 C ATOM 612 CD GLU A 36 2.892 -6.017 -5.729 1.00 52.34 C ATOM 613 OE1 GLU A 36 2.027 -5.265 -6.236 1.00 33.01 O ATOM 614 OE2 GLU A 36 3.214 -7.097 -6.273 1.00 3.11 O ATOM 0 H GLU A 36 3.727 -3.714 -2.255 1.00 61.43 H new ATOM 0 HA GLU A 36 2.780 -6.244 -1.069 1.00 4.54 H new ATOM 0 HB2 GLU A 36 2.534 -7.113 -3.246 1.00 71.34 H new ATOM 0 HB3 GLU A 36 1.741 -5.551 -3.300 1.00 71.34 H new ATOM 0 HG2 GLU A 36 3.757 -4.571 -4.390 1.00 35.13 H new ATOM 0 HG3 GLU A 36 4.538 -6.139 -4.347 1.00 35.13 H new ATOM 621 N ARG A 37 4.949 -7.397 -1.521 1.00 4.33 N ATOM 622 CA ARG A 37 6.232 -8.059 -1.387 1.00 55.55 C ATOM 623 C ARG A 37 6.703 -8.427 -2.789 1.00 52.45 C ATOM 624 O ARG A 37 5.923 -9.051 -3.515 1.00 14.14 O ATOM 625 CB ARG A 37 6.001 -9.327 -0.545 1.00 2.40 C ATOM 626 CG ARG A 37 7.279 -10.155 -0.393 1.00 33.22 C ATOM 627 CD ARG A 37 7.106 -11.660 -0.618 1.00 65.32 C ATOM 628 NE ARG A 37 6.666 -11.950 -1.988 1.00 62.43 N ATOM 629 CZ ARG A 37 6.437 -13.158 -2.505 1.00 62.35 C ATOM 630 NH1 ARG A 37 6.847 -14.255 -1.872 1.00 45.45 N ATOM 631 NH2 ARG A 37 5.765 -13.239 -3.644 1.00 31.24 N ATOM 0 H ARG A 37 4.165 -8.043 -1.425 1.00 4.33 H new ATOM 0 HA ARG A 37 6.982 -7.431 -0.906 1.00 55.55 H new ATOM 0 HB2 ARG A 37 5.632 -9.045 0.441 1.00 2.40 H new ATOM 0 HB3 ARG A 37 5.228 -9.937 -1.012 1.00 2.40 H new ATOM 0 HG2 ARG A 37 8.022 -9.781 -1.097 1.00 33.22 H new ATOM 0 HG3 ARG A 37 7.680 -9.996 0.608 1.00 33.22 H new ATOM 0 HD2 ARG A 37 8.049 -12.169 -0.422 1.00 65.32 H new ATOM 0 HD3 ARG A 37 6.378 -12.054 0.091 1.00 65.32 H new ATOM 0 HE ARG A 37 6.521 -11.150 -2.604 1.00 62.43 H new ATOM 0 HH11 ARG A 37 7.341 -14.176 -0.983 1.00 45.45 H new ATOM 0 HH12 ARG A 37 6.667 -15.174 -2.276 1.00 45.45 H new ATOM 0 HH21 ARG A 37 5.436 -12.390 -4.104 1.00 31.24 H new ATOM 0 HH22 ARG A 37 5.576 -14.151 -4.061 1.00 31.24 H new ATOM 645 N TYR A 38 7.941 -8.098 -3.167 1.00 51.42 N ATOM 646 CA TYR A 38 8.454 -8.445 -4.491 1.00 4.23 C ATOM 647 C TYR A 38 8.367 -9.949 -4.721 1.00 35.42 C ATOM 648 O TYR A 38 8.572 -10.718 -3.784 1.00 10.31 O ATOM 649 CB TYR A 38 9.923 -8.020 -4.620 1.00 1.34 C ATOM 650 CG TYR A 38 10.543 -8.308 -5.975 1.00 60.02 C ATOM 651 CD1 TYR A 38 9.873 -7.941 -7.160 1.00 63.44 C ATOM 652 CD2 TYR A 38 11.809 -8.920 -6.053 1.00 43.25 C ATOM 653 CE1 TYR A 38 10.466 -8.167 -8.413 1.00 51.12 C ATOM 654 CE2 TYR A 38 12.411 -9.141 -7.305 1.00 74.23 C ATOM 655 CZ TYR A 38 11.750 -8.743 -8.489 1.00 35.43 C ATOM 656 OH TYR A 38 12.330 -8.909 -9.704 1.00 20.23 O ATOM 0 H TYR A 38 8.603 -7.594 -2.577 1.00 51.42 H new ATOM 0 HA TYR A 38 7.848 -7.923 -5.232 1.00 4.23 H new ATOM 0 HB2 TYR A 38 9.998 -6.951 -4.420 1.00 1.34 H new ATOM 0 HB3 TYR A 38 10.505 -8.530 -3.852 1.00 1.34 H new ATOM 0 HD1 TYR A 38 8.897 -7.483 -7.104 1.00 63.44 H new ATOM 0 HD2 TYR A 38 12.319 -9.220 -5.150 1.00 43.25 H new ATOM 0 HE1 TYR A 38 9.939 -7.900 -9.317 1.00 51.12 H new ATOM 0 HE2 TYR A 38 13.380 -9.615 -7.361 1.00 74.23 H new ATOM 0 HH TYR A 38 13.214 -9.317 -9.592 1.00 20.23 H new ATOM 666 N LYS A 39 8.111 -10.399 -5.952 1.00 35.32 N ATOM 667 CA LYS A 39 8.042 -11.836 -6.228 1.00 1.53 C ATOM 668 C LYS A 39 9.375 -12.520 -5.904 1.00 53.25 C ATOM 669 O LYS A 39 9.382 -13.652 -5.417 1.00 30.20 O ATOM 670 CB LYS A 39 7.572 -12.082 -7.671 1.00 4.42 C ATOM 671 CG LYS A 39 8.512 -11.514 -8.753 1.00 34.20 C ATOM 672 CD LYS A 39 7.768 -11.352 -10.083 1.00 52.41 C ATOM 673 CE LYS A 39 8.695 -10.738 -11.136 1.00 33.13 C ATOM 674 NZ LYS A 39 7.928 -10.193 -12.274 1.00 63.04 N ATOM 0 H LYS A 39 7.950 -9.800 -6.762 1.00 35.32 H new ATOM 0 HA LYS A 39 7.299 -12.292 -5.573 1.00 1.53 H new ATOM 0 HB2 LYS A 39 7.465 -13.155 -7.827 1.00 4.42 H new ATOM 0 HB3 LYS A 39 6.583 -11.641 -7.798 1.00 4.42 H new ATOM 0 HG2 LYS A 39 8.906 -10.550 -8.431 1.00 34.20 H new ATOM 0 HG3 LYS A 39 9.366 -12.179 -8.886 1.00 34.20 H new ATOM 0 HD2 LYS A 39 7.407 -12.321 -10.427 1.00 52.41 H new ATOM 0 HD3 LYS A 39 6.893 -10.717 -9.944 1.00 52.41 H new ATOM 0 HE2 LYS A 39 9.289 -9.945 -10.682 1.00 33.13 H new ATOM 0 HE3 LYS A 39 9.393 -11.494 -11.494 1.00 33.13 H new ATOM 0 HZ1 LYS A 39 8.583 -9.784 -12.970 1.00 63.04 H new ATOM 0 HZ2 LYS A 39 7.380 -10.956 -12.721 1.00 63.04 H new ATOM 0 HZ3 LYS A 39 7.280 -9.455 -11.934 1.00 63.04 H new ATOM 688 N GLY A 40 10.497 -11.832 -6.123 1.00 44.24 N ATOM 689 CA GLY A 40 11.817 -12.371 -5.846 1.00 43.44 C ATOM 690 C GLY A 40 12.107 -12.488 -4.351 1.00 12.54 C ATOM 691 O GLY A 40 12.961 -13.286 -3.980 1.00 74.01 O ATOM 0 H GLY A 40 10.509 -10.884 -6.498 1.00 44.24 H new ATOM 0 HA2 GLY A 40 11.907 -13.355 -6.307 1.00 43.44 H new ATOM 0 HA3 GLY A 40 12.570 -11.732 -6.309 1.00 43.44 H new ATOM 695 N GLU A 41 11.390 -11.752 -3.499 1.00 72.24 N ATOM 696 CA GLU A 41 11.574 -11.732 -2.052 1.00 31.01 C ATOM 697 C GLU A 41 11.318 -13.093 -1.393 1.00 73.43 C ATOM 698 O GLU A 41 10.246 -13.690 -1.549 1.00 64.12 O ATOM 699 CB GLU A 41 10.680 -10.629 -1.475 1.00 63.11 C ATOM 700 CG GLU A 41 11.018 -10.210 -0.044 1.00 11.12 C ATOM 701 CD GLU A 41 12.522 -10.152 0.193 1.00 44.25 C ATOM 702 OE1 GLU A 41 13.196 -9.195 -0.237 1.00 33.04 O ATOM 703 OE2 GLU A 41 13.045 -11.163 0.701 1.00 42.22 O ATOM 0 H GLU A 41 10.641 -11.134 -3.811 1.00 72.24 H new ATOM 0 HA GLU A 41 12.619 -11.516 -1.831 1.00 31.01 H new ATOM 0 HB2 GLU A 41 10.746 -9.753 -2.120 1.00 63.11 H new ATOM 0 HB3 GLU A 41 9.645 -10.968 -1.504 1.00 63.11 H new ATOM 0 HG2 GLU A 41 10.581 -9.233 0.161 1.00 11.12 H new ATOM 0 HG3 GLU A 41 10.567 -10.914 0.656 1.00 11.12 H new ATOM 710 N LYS A 42 12.319 -13.573 -0.648 1.00 3.20 N ATOM 711 CA LYS A 42 12.334 -14.844 0.081 1.00 50.24 C ATOM 712 C LYS A 42 12.984 -14.728 1.457 1.00 5.13 C ATOM 713 O LYS A 42 12.948 -15.704 2.213 1.00 71.03 O ATOM 714 CB LYS A 42 13.120 -15.895 -0.727 1.00 41.42 C ATOM 715 CG LYS A 42 12.524 -16.243 -2.096 1.00 53.11 C ATOM 716 CD LYS A 42 11.134 -16.890 -2.038 1.00 1.40 C ATOM 717 CE LYS A 42 11.219 -18.301 -1.461 1.00 44.51 C ATOM 718 NZ LYS A 42 9.892 -18.844 -1.123 1.00 50.22 N ATOM 0 H LYS A 42 13.190 -13.055 -0.531 1.00 3.20 H new ATOM 0 HA LYS A 42 11.293 -15.138 0.216 1.00 50.24 H new ATOM 0 HB2 LYS A 42 14.137 -15.532 -0.873 1.00 41.42 H new ATOM 0 HB3 LYS A 42 13.189 -16.808 -0.136 1.00 41.42 H new ATOM 0 HG2 LYS A 42 12.463 -15.333 -2.694 1.00 53.11 H new ATOM 0 HG3 LYS A 42 13.205 -16.919 -2.613 1.00 53.11 H new ATOM 0 HD2 LYS A 42 10.469 -16.281 -1.426 1.00 1.40 H new ATOM 0 HD3 LYS A 42 10.702 -16.926 -3.038 1.00 1.40 H new ATOM 0 HE2 LYS A 42 11.706 -18.958 -2.182 1.00 44.51 H new ATOM 0 HE3 LYS A 42 11.843 -18.290 -0.568 1.00 44.51 H new ATOM 0 HZ1 LYS A 42 9.998 -19.803 -0.735 1.00 50.22 H new ATOM 0 HZ2 LYS A 42 9.437 -18.233 -0.416 1.00 50.22 H new ATOM 0 HZ3 LYS A 42 9.303 -18.880 -1.980 1.00 50.22 H new ATOM 732 N GLN A 43 13.661 -13.619 1.768 1.00 34.42 N ATOM 733 CA GLN A 43 14.304 -13.418 3.048 1.00 5.34 C ATOM 734 C GLN A 43 13.375 -12.648 3.971 1.00 5.43 C ATOM 735 O GLN A 43 13.257 -13.024 5.139 1.00 71.04 O ATOM 736 CB GLN A 43 15.672 -12.708 2.937 1.00 25.44 C ATOM 737 CG GLN A 43 15.775 -11.432 2.079 1.00 22.21 C ATOM 738 CD GLN A 43 16.146 -11.656 0.600 1.00 73.33 C ATOM 739 OE1 GLN A 43 16.584 -10.745 -0.098 1.00 1.21 O ATOM 740 NE2 GLN A 43 16.004 -12.860 0.063 1.00 30.00 N ATOM 0 H GLN A 43 13.773 -12.835 1.125 1.00 34.42 H new ATOM 0 HA GLN A 43 14.508 -14.405 3.464 1.00 5.34 H new ATOM 0 HB2 GLN A 43 15.996 -12.455 3.946 1.00 25.44 H new ATOM 0 HB3 GLN A 43 16.388 -13.430 2.544 1.00 25.44 H new ATOM 0 HG2 GLN A 43 14.820 -10.909 2.121 1.00 22.21 H new ATOM 0 HG3 GLN A 43 16.519 -10.773 2.527 1.00 22.21 H new ATOM 0 HE21 GLN A 43 15.642 -13.630 0.626 1.00 30.00 H new ATOM 0 HE22 GLN A 43 16.257 -13.016 -0.913 1.00 30.00 H new ATOM 749 N LEU A 44 12.715 -11.599 3.472 1.00 72.14 N ATOM 750 CA LEU A 44 11.838 -10.787 4.308 1.00 43.23 C ATOM 751 C LEU A 44 10.442 -11.401 4.485 1.00 32.11 C ATOM 752 O LEU A 44 9.988 -12.150 3.612 1.00 44.42 O ATOM 753 CB LEU A 44 11.742 -9.365 3.725 1.00 45.25 C ATOM 754 CG LEU A 44 12.988 -8.505 3.960 1.00 21.00 C ATOM 755 CD1 LEU A 44 12.798 -7.163 3.249 1.00 11.54 C ATOM 756 CD2 LEU A 44 13.232 -8.245 5.448 1.00 61.11 C ATOM 0 H LEU A 44 12.773 -11.297 2.500 1.00 72.14 H new ATOM 0 HA LEU A 44 12.279 -10.747 5.304 1.00 43.23 H new ATOM 0 HB2 LEU A 44 11.560 -9.436 2.653 1.00 45.25 H new ATOM 0 HB3 LEU A 44 10.879 -8.862 4.163 1.00 45.25 H new ATOM 0 HG LEU A 44 13.851 -9.043 3.567 1.00 21.00 H new ATOM 0 HD11 LEU A 44 13.678 -6.539 3.408 1.00 11.54 H new ATOM 0 HD12 LEU A 44 12.661 -7.333 2.181 1.00 11.54 H new ATOM 0 HD13 LEU A 44 11.919 -6.659 3.651 1.00 11.54 H new ATOM 0 HD21 LEU A 44 14.125 -7.632 5.569 1.00 61.11 H new ATOM 0 HD22 LEU A 44 12.374 -7.724 5.872 1.00 61.11 H new ATOM 0 HD23 LEU A 44 13.371 -9.194 5.965 1.00 61.11 H new ATOM 768 N PRO A 45 9.690 -11.025 5.539 1.00 70.25 N ATOM 769 CA PRO A 45 8.351 -11.547 5.781 1.00 41.35 C ATOM 770 C PRO A 45 7.307 -10.788 4.947 1.00 34.12 C ATOM 771 O PRO A 45 7.503 -9.627 4.567 1.00 12.34 O ATOM 772 CB PRO A 45 8.125 -11.370 7.283 1.00 25.12 C ATOM 773 CG PRO A 45 8.889 -10.088 7.586 1.00 42.05 C ATOM 774 CD PRO A 45 10.087 -10.150 6.634 1.00 71.21 C ATOM 0 HA PRO A 45 8.252 -12.592 5.486 1.00 41.35 H new ATOM 0 HB2 PRO A 45 7.066 -11.278 7.525 1.00 25.12 H new ATOM 0 HB3 PRO A 45 8.510 -12.216 7.853 1.00 25.12 H new ATOM 0 HG2 PRO A 45 8.278 -9.204 7.404 1.00 42.05 H new ATOM 0 HG3 PRO A 45 9.206 -10.047 8.628 1.00 42.05 H new ATOM 0 HD2 PRO A 45 10.343 -9.157 6.265 1.00 71.21 H new ATOM 0 HD3 PRO A 45 10.969 -10.539 7.143 1.00 71.21 H new ATOM 782 N VAL A 46 6.204 -11.459 4.628 1.00 54.31 N ATOM 783 CA VAL A 46 5.078 -10.945 3.853 1.00 25.54 C ATOM 784 C VAL A 46 4.325 -9.844 4.626 1.00 14.24 C ATOM 785 O VAL A 46 4.638 -9.528 5.776 1.00 52.41 O ATOM 786 CB VAL A 46 4.210 -12.146 3.413 1.00 45.02 C ATOM 787 CG1 VAL A 46 3.385 -12.718 4.568 1.00 12.34 C ATOM 788 CG2 VAL A 46 3.304 -11.843 2.209 1.00 41.43 C ATOM 0 H VAL A 46 6.064 -12.427 4.918 1.00 54.31 H new ATOM 0 HA VAL A 46 5.416 -10.442 2.947 1.00 25.54 H new ATOM 0 HB VAL A 46 4.925 -12.903 3.090 1.00 45.02 H new ATOM 0 HG11 VAL A 46 2.792 -13.559 4.210 1.00 12.34 H new ATOM 0 HG12 VAL A 46 4.053 -13.056 5.360 1.00 12.34 H new ATOM 0 HG13 VAL A 46 2.721 -11.946 4.958 1.00 12.34 H new ATOM 0 HG21 VAL A 46 2.725 -12.731 1.957 1.00 41.43 H new ATOM 0 HG22 VAL A 46 2.626 -11.027 2.460 1.00 41.43 H new ATOM 0 HG23 VAL A 46 3.918 -11.556 1.355 1.00 41.43 H new ATOM 798 N LEU A 47 3.387 -9.177 3.951 1.00 72.23 N ATOM 799 CA LEU A 47 2.569 -8.113 4.515 1.00 43.41 C ATOM 800 C LEU A 47 1.183 -8.691 4.819 1.00 65.15 C ATOM 801 O LEU A 47 0.647 -9.465 4.031 1.00 10.40 O ATOM 802 CB LEU A 47 2.517 -6.931 3.530 1.00 70.13 C ATOM 803 CG LEU A 47 2.532 -5.547 4.191 1.00 4.23 C ATOM 804 CD1 LEU A 47 2.573 -4.436 3.157 1.00 15.21 C ATOM 805 CD2 LEU A 47 1.359 -5.279 5.123 1.00 33.10 C ATOM 0 H LEU A 47 3.173 -9.370 2.973 1.00 72.23 H new ATOM 0 HA LEU A 47 2.991 -7.731 5.445 1.00 43.41 H new ATOM 0 HB2 LEU A 47 3.366 -7.004 2.851 1.00 70.13 H new ATOM 0 HB3 LEU A 47 1.615 -7.020 2.924 1.00 70.13 H new ATOM 0 HG LEU A 47 3.440 -5.554 4.793 1.00 4.23 H new ATOM 0 HD11 LEU A 47 2.583 -3.470 3.661 1.00 15.21 H new ATOM 0 HD12 LEU A 47 3.472 -4.537 2.550 1.00 15.21 H new ATOM 0 HD13 LEU A 47 1.693 -4.502 2.517 1.00 15.21 H new ATOM 0 HD21 LEU A 47 1.451 -4.278 5.545 1.00 33.10 H new ATOM 0 HD22 LEU A 47 0.426 -5.353 4.564 1.00 33.10 H new ATOM 0 HD23 LEU A 47 1.359 -6.014 5.928 1.00 33.10 H new ATOM 817 N ASP A 48 0.605 -8.277 5.940 1.00 73.44 N ATOM 818 CA ASP A 48 -0.698 -8.646 6.510 1.00 30.44 C ATOM 819 C ASP A 48 -1.886 -8.137 5.691 1.00 61.31 C ATOM 820 O ASP A 48 -3.012 -8.603 5.862 1.00 71.53 O ATOM 821 CB ASP A 48 -0.807 -8.101 7.959 1.00 5.32 C ATOM 822 CG ASP A 48 0.521 -8.019 8.729 1.00 71.13 C ATOM 823 OD1 ASP A 48 1.324 -7.102 8.427 1.00 61.33 O ATOM 824 OD2 ASP A 48 0.826 -8.881 9.588 1.00 50.35 O ATOM 0 H ASP A 48 1.082 -7.604 6.539 1.00 73.44 H new ATOM 0 HA ASP A 48 -0.745 -9.735 6.498 1.00 30.44 H new ATOM 0 HB2 ASP A 48 -1.250 -7.106 7.923 1.00 5.32 H new ATOM 0 HB3 ASP A 48 -1.494 -8.736 8.518 1.00 5.32 H new ATOM 829 N LYS A 49 -1.656 -7.159 4.817 1.00 10.14 N ATOM 830 CA LYS A 49 -2.642 -6.541 3.941 1.00 12.04 C ATOM 831 C LYS A 49 -1.927 -6.074 2.676 1.00 43.11 C ATOM 832 O LYS A 49 -0.739 -6.355 2.497 1.00 62.22 O ATOM 833 CB LYS A 49 -3.429 -5.428 4.674 1.00 61.41 C ATOM 834 CG LYS A 49 -4.870 -5.403 4.138 1.00 12.11 C ATOM 835 CD LYS A 49 -5.798 -4.343 4.751 1.00 20.24 C ATOM 836 CE LYS A 49 -6.240 -4.652 6.186 1.00 10.10 C ATOM 837 NZ LYS A 49 -7.024 -5.901 6.311 1.00 52.35 N ATOM 0 H LYS A 49 -0.726 -6.757 4.697 1.00 10.14 H new ATOM 0 HA LYS A 49 -3.405 -7.261 3.646 1.00 12.04 H new ATOM 0 HB2 LYS A 49 -3.429 -5.611 5.748 1.00 61.41 H new ATOM 0 HB3 LYS A 49 -2.951 -4.461 4.516 1.00 61.41 H new ATOM 0 HG2 LYS A 49 -4.833 -5.245 3.060 1.00 12.11 H new ATOM 0 HG3 LYS A 49 -5.315 -6.385 4.301 1.00 12.11 H new ATOM 0 HD2 LYS A 49 -5.289 -3.379 4.739 1.00 20.24 H new ATOM 0 HD3 LYS A 49 -6.683 -4.244 4.123 1.00 20.24 H new ATOM 0 HE2 LYS A 49 -5.357 -4.722 6.821 1.00 10.10 H new ATOM 0 HE3 LYS A 49 -6.837 -3.820 6.560 1.00 10.10 H new ATOM 0 HZ1 LYS A 49 -7.431 -5.961 7.266 1.00 52.35 H new ATOM 0 HZ2 LYS A 49 -7.790 -5.902 5.607 1.00 52.35 H new ATOM 0 HZ3 LYS A 49 -6.403 -6.719 6.147 1.00 52.35 H new ATOM 851 N THR A 50 -2.646 -5.448 1.755 1.00 71.14 N ATOM 852 CA THR A 50 -2.114 -4.934 0.501 1.00 55.15 C ATOM 853 C THR A 50 -2.444 -3.443 0.387 1.00 21.40 C ATOM 854 O THR A 50 -1.549 -2.630 0.174 1.00 13.31 O ATOM 855 CB THR A 50 -2.669 -5.774 -0.664 1.00 35.21 C ATOM 856 OG1 THR A 50 -4.078 -5.925 -0.568 1.00 12.11 O ATOM 857 CG2 THR A 50 -2.073 -7.184 -0.664 1.00 13.41 C ATOM 0 H THR A 50 -3.646 -5.279 1.863 1.00 71.14 H new ATOM 0 HA THR A 50 -1.028 -5.021 0.466 1.00 55.15 H new ATOM 0 HB THR A 50 -2.401 -5.241 -1.576 1.00 35.21 H new ATOM 0 HG1 THR A 50 -4.402 -6.461 -1.322 1.00 12.11 H new ATOM 0 HG21 THR A 50 -2.484 -7.753 -1.498 1.00 13.41 H new ATOM 0 HG22 THR A 50 -0.990 -7.121 -0.767 1.00 13.41 H new ATOM 0 HG23 THR A 50 -2.320 -7.684 0.273 1.00 13.41 H new ATOM 865 N LYS A 51 -3.715 -3.090 0.580 1.00 74.51 N ATOM 866 CA LYS A 51 -4.252 -1.734 0.513 1.00 23.43 C ATOM 867 C LYS A 51 -3.941 -0.923 1.786 1.00 64.54 C ATOM 868 O LYS A 51 -4.402 -1.309 2.866 1.00 64.53 O ATOM 869 CB LYS A 51 -5.779 -1.867 0.328 1.00 74.21 C ATOM 870 CG LYS A 51 -6.194 -2.418 -1.052 1.00 42.14 C ATOM 871 CD LYS A 51 -7.532 -3.183 -1.083 1.00 75.22 C ATOM 872 CE LYS A 51 -8.738 -2.270 -0.839 1.00 61.51 C ATOM 873 NZ LYS A 51 -10.052 -2.919 -1.060 1.00 62.14 N ATOM 0 H LYS A 51 -4.434 -3.780 0.799 1.00 74.51 H new ATOM 0 HA LYS A 51 -3.790 -1.196 -0.315 1.00 23.43 H new ATOM 0 HB2 LYS A 51 -6.174 -2.523 1.104 1.00 74.21 H new ATOM 0 HB3 LYS A 51 -6.239 -0.890 0.472 1.00 74.21 H new ATOM 0 HG2 LYS A 51 -6.254 -1.586 -1.753 1.00 42.14 H new ATOM 0 HG3 LYS A 51 -5.407 -3.081 -1.411 1.00 42.14 H new ATOM 0 HD2 LYS A 51 -7.643 -3.675 -2.049 1.00 75.22 H new ATOM 0 HD3 LYS A 51 -7.516 -3.967 -0.326 1.00 75.22 H new ATOM 0 HE2 LYS A 51 -8.697 -1.900 0.186 1.00 61.51 H new ATOM 0 HE3 LYS A 51 -8.660 -1.403 -1.494 1.00 61.51 H new ATOM 0 HZ1 LYS A 51 -10.813 -2.256 -0.809 1.00 62.14 H new ATOM 0 HZ2 LYS A 51 -10.143 -3.187 -2.061 1.00 62.14 H new ATOM 0 HZ3 LYS A 51 -10.124 -3.769 -0.466 1.00 62.14 H new ATOM 887 N PHE A 52 -3.151 0.154 1.656 1.00 3.02 N ATOM 888 CA PHE A 52 -2.774 1.083 2.732 1.00 14.10 C ATOM 889 C PHE A 52 -3.206 2.509 2.337 1.00 54.01 C ATOM 890 O PHE A 52 -3.333 2.830 1.148 1.00 21.34 O ATOM 891 CB PHE A 52 -1.264 1.095 3.010 1.00 41.41 C ATOM 892 CG PHE A 52 -0.757 0.008 3.928 1.00 43.32 C ATOM 893 CD1 PHE A 52 -0.709 -1.323 3.484 1.00 20.43 C ATOM 894 CD2 PHE A 52 -0.333 0.329 5.234 1.00 52.25 C ATOM 895 CE1 PHE A 52 -0.299 -2.335 4.365 1.00 55.04 C ATOM 896 CE2 PHE A 52 0.123 -0.676 6.100 1.00 20.12 C ATOM 897 CZ PHE A 52 0.099 -2.013 5.676 1.00 34.42 C ATOM 0 H PHE A 52 -2.740 0.412 0.759 1.00 3.02 H new ATOM 0 HA PHE A 52 -3.276 0.745 3.638 1.00 14.10 H new ATOM 0 HB2 PHE A 52 -0.738 1.016 2.059 1.00 41.41 H new ATOM 0 HB3 PHE A 52 -1.000 2.061 3.441 1.00 41.41 H new ATOM 0 HD1 PHE A 52 -0.986 -1.567 2.469 1.00 20.43 H new ATOM 0 HD2 PHE A 52 -0.359 1.355 5.570 1.00 52.25 H new ATOM 0 HE1 PHE A 52 -0.289 -3.364 4.036 1.00 55.04 H new ATOM 0 HE2 PHE A 52 0.489 -0.423 7.084 1.00 20.12 H new ATOM 0 HZ PHE A 52 0.387 -2.799 6.359 1.00 34.42 H new ATOM 907 N LEU A 53 -3.424 3.379 3.331 1.00 31.45 N ATOM 908 CA LEU A 53 -3.831 4.777 3.169 1.00 14.32 C ATOM 909 C LEU A 53 -2.781 5.629 3.864 1.00 3.15 C ATOM 910 O LEU A 53 -2.555 5.503 5.073 1.00 44.43 O ATOM 911 CB LEU A 53 -5.219 5.075 3.773 1.00 1.25 C ATOM 912 CG LEU A 53 -6.471 4.615 3.010 1.00 24.13 C ATOM 913 CD1 LEU A 53 -7.798 4.999 3.673 1.00 44.03 C ATOM 914 CD2 LEU A 53 -6.549 5.027 1.550 1.00 40.00 C ATOM 0 H LEU A 53 -3.317 3.115 4.310 1.00 31.45 H new ATOM 0 HA LEU A 53 -3.907 5.000 2.105 1.00 14.32 H new ATOM 0 HB2 LEU A 53 -5.252 4.623 4.764 1.00 1.25 H new ATOM 0 HB3 LEU A 53 -5.294 6.154 3.912 1.00 1.25 H new ATOM 0 HG LEU A 53 -6.336 3.534 3.052 1.00 24.13 H new ATOM 0 HD11 LEU A 53 -8.627 4.634 3.066 1.00 44.03 H new ATOM 0 HD12 LEU A 53 -7.851 4.553 4.666 1.00 44.03 H new ATOM 0 HD13 LEU A 53 -7.861 6.084 3.759 1.00 44.03 H new ATOM 0 HD21 LEU A 53 -7.473 4.648 1.114 1.00 40.00 H new ATOM 0 HD22 LEU A 53 -6.533 6.114 1.477 1.00 40.00 H new ATOM 0 HD23 LEU A 53 -5.697 4.615 1.010 1.00 40.00 H new ATOM 926 N VAL A 54 -2.143 6.494 3.086 1.00 31.11 N ATOM 927 CA VAL A 54 -1.097 7.392 3.550 1.00 62.53 C ATOM 928 C VAL A 54 -1.677 8.803 3.546 1.00 42.32 C ATOM 929 O VAL A 54 -2.258 9.181 2.530 1.00 1.42 O ATOM 930 CB VAL A 54 0.108 7.287 2.592 1.00 62.12 C ATOM 931 CG1 VAL A 54 1.364 7.918 3.182 1.00 60.41 C ATOM 932 CG2 VAL A 54 0.441 5.839 2.210 1.00 34.25 C ATOM 0 H VAL A 54 -2.345 6.592 2.091 1.00 31.11 H new ATOM 0 HA VAL A 54 -0.758 7.137 4.554 1.00 62.53 H new ATOM 0 HB VAL A 54 -0.198 7.831 1.698 1.00 62.12 H new ATOM 0 HG11 VAL A 54 2.187 7.821 2.474 1.00 60.41 H new ATOM 0 HG12 VAL A 54 1.181 8.973 3.383 1.00 60.41 H new ATOM 0 HG13 VAL A 54 1.624 7.411 4.111 1.00 60.41 H new ATOM 0 HG21 VAL A 54 1.297 5.828 1.535 1.00 34.25 H new ATOM 0 HG22 VAL A 54 0.681 5.272 3.109 1.00 34.25 H new ATOM 0 HG23 VAL A 54 -0.418 5.387 1.714 1.00 34.25 H new ATOM 942 N PRO A 55 -1.604 9.568 4.643 1.00 72.30 N ATOM 943 CA PRO A 55 -2.125 10.918 4.654 1.00 73.12 C ATOM 944 C PRO A 55 -1.189 11.801 3.833 1.00 74.41 C ATOM 945 O PRO A 55 0.034 11.669 3.924 1.00 54.11 O ATOM 946 CB PRO A 55 -2.157 11.336 6.119 1.00 60.24 C ATOM 947 CG PRO A 55 -1.022 10.524 6.746 1.00 44.13 C ATOM 948 CD PRO A 55 -0.969 9.250 5.908 1.00 60.34 C ATOM 0 HA PRO A 55 -3.121 11.002 4.219 1.00 73.12 H new ATOM 0 HB2 PRO A 55 -1.995 12.408 6.234 1.00 60.24 H new ATOM 0 HB3 PRO A 55 -3.117 11.107 6.581 1.00 60.24 H new ATOM 0 HG2 PRO A 55 -0.077 11.065 6.709 1.00 44.13 H new ATOM 0 HG3 PRO A 55 -1.222 10.303 7.795 1.00 44.13 H new ATOM 0 HD2 PRO A 55 0.061 8.927 5.756 1.00 60.34 H new ATOM 0 HD3 PRO A 55 -1.488 8.433 6.409 1.00 60.34 H new ATOM 956 N ASP A 56 -1.756 12.740 3.083 1.00 2.14 N ATOM 957 CA ASP A 56 -1.004 13.669 2.241 1.00 52.42 C ATOM 958 C ASP A 56 -0.123 14.639 3.054 1.00 1.34 C ATOM 959 O ASP A 56 0.659 15.402 2.481 1.00 32.31 O ATOM 960 CB ASP A 56 -1.959 14.438 1.312 1.00 12.23 C ATOM 961 CG ASP A 56 -2.500 15.735 1.920 1.00 55.33 C ATOM 962 OD1 ASP A 56 -3.005 15.716 3.062 1.00 13.43 O ATOM 963 OD2 ASP A 56 -2.443 16.780 1.225 1.00 34.44 O ATOM 0 H ASP A 56 -2.765 12.881 3.041 1.00 2.14 H new ATOM 0 HA ASP A 56 -0.321 13.072 1.637 1.00 52.42 H new ATOM 0 HB2 ASP A 56 -1.438 14.672 0.384 1.00 12.23 H new ATOM 0 HB3 ASP A 56 -2.797 13.792 1.052 1.00 12.23 H new ATOM 968 N HIS A 57 -0.221 14.629 4.386 1.00 20.45 N ATOM 969 CA HIS A 57 0.572 15.493 5.247 1.00 40.14 C ATOM 970 C HIS A 57 1.932 14.894 5.602 1.00 21.53 C ATOM 971 O HIS A 57 2.785 15.637 6.091 1.00 24.21 O ATOM 972 CB HIS A 57 -0.202 15.795 6.548 1.00 71.53 C ATOM 973 CG HIS A 57 -0.140 14.756 7.661 1.00 21.24 C ATOM 974 ND1 HIS A 57 -1.210 14.062 8.179 1.00 2.02 N ATOM 975 CD2 HIS A 57 0.951 14.429 8.433 1.00 4.21 C ATOM 976 CE1 HIS A 57 -0.763 13.309 9.199 1.00 41.14 C ATOM 977 NE2 HIS A 57 0.555 13.481 9.383 1.00 71.43 N ATOM 0 H HIS A 57 -0.858 14.016 4.895 1.00 20.45 H new ATOM 0 HA HIS A 57 0.753 16.410 4.686 1.00 40.14 H new ATOM 0 HB2 HIS A 57 0.168 16.739 6.948 1.00 71.53 H new ATOM 0 HB3 HIS A 57 -1.250 15.948 6.288 1.00 71.53 H new ATOM 0 HD2 HIS A 57 1.946 14.836 8.324 1.00 4.21 H new ATOM 0 HE1 HIS A 57 -1.383 12.653 9.792 1.00 41.14 H new ATOM 0 HE2 HIS A 57 1.146 13.017 10.073 1.00 71.43 H new ATOM 985 N VAL A 58 2.088 13.567 5.507 1.00 41.02 N ATOM 986 CA VAL A 58 3.318 12.870 5.862 1.00 62.44 C ATOM 987 C VAL A 58 4.191 12.509 4.652 1.00 20.52 C ATOM 988 O VAL A 58 3.684 12.286 3.552 1.00 62.31 O ATOM 989 CB VAL A 58 2.933 11.692 6.791 1.00 23.44 C ATOM 990 CG1 VAL A 58 2.755 10.339 6.088 1.00 4.03 C ATOM 991 CG2 VAL A 58 3.935 11.565 7.937 1.00 53.30 C ATOM 0 H VAL A 58 1.350 12.945 5.177 1.00 41.02 H new ATOM 0 HA VAL A 58 3.987 13.531 6.414 1.00 62.44 H new ATOM 0 HB VAL A 58 1.946 11.947 7.176 1.00 23.44 H new ATOM 0 HG11 VAL A 58 2.487 9.580 6.823 1.00 4.03 H new ATOM 0 HG12 VAL A 58 1.964 10.418 5.342 1.00 4.03 H new ATOM 0 HG13 VAL A 58 3.688 10.057 5.599 1.00 4.03 H new ATOM 0 HG21 VAL A 58 3.649 10.732 8.580 1.00 53.30 H new ATOM 0 HG22 VAL A 58 4.931 11.385 7.532 1.00 53.30 H new ATOM 0 HG23 VAL A 58 3.941 12.487 8.519 1.00 53.30 H new ATOM 1001 N ASN A 59 5.505 12.367 4.857 1.00 40.44 N ATOM 1002 CA ASN A 59 6.461 11.998 3.804 1.00 23.41 C ATOM 1003 C ASN A 59 6.778 10.496 3.827 1.00 21.05 C ATOM 1004 O ASN A 59 6.622 9.802 4.847 1.00 32.32 O ATOM 1005 CB ASN A 59 7.762 12.822 3.873 1.00 53.10 C ATOM 1006 CG ASN A 59 8.438 12.852 5.230 1.00 11.53 C ATOM 1007 OD1 ASN A 59 8.349 11.800 6.019 1.00 64.33 O flip ATOM 1008 ND2 ASN A 59 9.103 13.819 5.583 1.00 4.35 N flip ATOM 0 H ASN A 59 5.941 12.506 5.769 1.00 40.44 H new ATOM 0 HA ASN A 59 5.974 12.233 2.858 1.00 23.41 H new ATOM 0 HB2 ASN A 59 8.466 12.421 3.143 1.00 53.10 H new ATOM 0 HB3 ASN A 59 7.540 13.846 3.573 1.00 53.10 H new ATOM 0 HD21 ASN A 59 9.176 14.636 4.977 1.00 4.35 H new ATOM 0 HD22 ASN A 59 9.583 13.806 6.483 1.00 4.35 H new ATOM 1015 N MET A 60 7.374 10.035 2.729 1.00 34.43 N ATOM 1016 CA MET A 60 7.738 8.642 2.533 1.00 15.12 C ATOM 1017 C MET A 60 8.664 8.058 3.606 1.00 32.11 C ATOM 1018 O MET A 60 8.620 6.854 3.856 1.00 44.32 O ATOM 1019 CB MET A 60 8.252 8.440 1.096 1.00 61.24 C ATOM 1020 CG MET A 60 7.101 8.356 0.090 1.00 60.13 C ATOM 1021 SD MET A 60 6.430 6.685 -0.107 1.00 22.14 S ATOM 1022 CE MET A 60 7.557 6.082 -1.396 1.00 3.51 C ATOM 0 H MET A 60 7.620 10.633 1.940 1.00 34.43 H new ATOM 0 HA MET A 60 6.830 8.053 2.663 1.00 15.12 H new ATOM 0 HB2 MET A 60 8.912 9.265 0.826 1.00 61.24 H new ATOM 0 HB3 MET A 60 8.846 7.527 1.047 1.00 61.24 H new ATOM 0 HG2 MET A 60 6.301 9.024 0.409 1.00 60.13 H new ATOM 0 HG3 MET A 60 7.449 8.715 -0.878 1.00 60.13 H new ATOM 0 HE1 MET A 60 7.393 5.016 -1.553 1.00 3.51 H new ATOM 0 HE2 MET A 60 7.368 6.619 -2.325 1.00 3.51 H new ATOM 0 HE3 MET A 60 8.588 6.248 -1.084 1.00 3.51 H new ATOM 1032 N SER A 61 9.418 8.881 4.336 1.00 51.31 N ATOM 1033 CA SER A 61 10.309 8.424 5.392 1.00 51.34 C ATOM 1034 C SER A 61 9.440 7.796 6.497 1.00 33.11 C ATOM 1035 O SER A 61 9.788 6.761 7.076 1.00 21.52 O ATOM 1036 CB SER A 61 11.187 9.602 5.834 1.00 71.20 C ATOM 1037 OG SER A 61 12.303 9.201 6.607 1.00 15.52 O ATOM 0 H SER A 61 9.424 9.893 4.206 1.00 51.31 H new ATOM 0 HA SER A 61 11.004 7.649 5.070 1.00 51.34 H new ATOM 0 HB2 SER A 61 11.537 10.138 4.952 1.00 71.20 H new ATOM 0 HB3 SER A 61 10.583 10.301 6.413 1.00 71.20 H new ATOM 0 HG SER A 61 12.827 9.990 6.859 1.00 15.52 H new ATOM 1043 N GLU A 62 8.331 8.464 6.841 1.00 22.13 N ATOM 1044 CA GLU A 62 7.366 8.012 7.832 1.00 22.51 C ATOM 1045 C GLU A 62 6.606 6.825 7.263 1.00 22.53 C ATOM 1046 O GLU A 62 6.413 5.850 7.989 1.00 42.20 O ATOM 1047 CB GLU A 62 6.400 9.119 8.239 1.00 21.31 C ATOM 1048 CG GLU A 62 7.152 10.261 8.925 1.00 42.20 C ATOM 1049 CD GLU A 62 7.858 9.798 10.204 1.00 71.24 C ATOM 1050 OE1 GLU A 62 7.199 9.236 11.108 1.00 60.12 O ATOM 1051 OE2 GLU A 62 9.096 9.964 10.296 1.00 53.43 O ATOM 0 H GLU A 62 8.080 9.359 6.421 1.00 22.13 H new ATOM 0 HA GLU A 62 7.904 7.719 8.734 1.00 22.51 H new ATOM 0 HB2 GLU A 62 5.878 9.496 7.359 1.00 21.31 H new ATOM 0 HB3 GLU A 62 5.642 8.719 8.912 1.00 21.31 H new ATOM 0 HG2 GLU A 62 7.887 10.677 8.236 1.00 42.20 H new ATOM 0 HG3 GLU A 62 6.453 11.062 9.166 1.00 42.20 H new ATOM 1058 N LEU A 63 6.232 6.870 5.971 1.00 2.15 N ATOM 1059 CA LEU A 63 5.518 5.742 5.340 1.00 3.35 C ATOM 1060 C LEU A 63 6.356 4.482 5.577 1.00 72.43 C ATOM 1061 O LEU A 63 5.844 3.475 6.078 1.00 64.24 O ATOM 1062 CB LEU A 63 5.296 6.023 3.836 1.00 72.14 C ATOM 1063 CG LEU A 63 4.835 4.890 2.892 1.00 53.14 C ATOM 1064 CD1 LEU A 63 5.898 3.830 2.582 1.00 14.52 C ATOM 1065 CD2 LEU A 63 3.571 4.197 3.374 1.00 33.13 C ATOM 0 H LEU A 63 6.408 7.661 5.351 1.00 2.15 H new ATOM 0 HA LEU A 63 4.528 5.605 5.776 1.00 3.35 H new ATOM 0 HB2 LEU A 63 4.560 6.824 3.762 1.00 72.14 H new ATOM 0 HB3 LEU A 63 6.233 6.413 3.439 1.00 72.14 H new ATOM 0 HG LEU A 63 4.630 5.421 1.962 1.00 53.14 H new ATOM 0 HD11 LEU A 63 5.479 3.079 1.913 1.00 14.52 H new ATOM 0 HD12 LEU A 63 6.756 4.304 2.104 1.00 14.52 H new ATOM 0 HD13 LEU A 63 6.217 3.353 3.509 1.00 14.52 H new ATOM 0 HD21 LEU A 63 3.296 3.411 2.671 1.00 33.13 H new ATOM 0 HD22 LEU A 63 3.748 3.759 4.356 1.00 33.13 H new ATOM 0 HD23 LEU A 63 2.761 4.923 3.441 1.00 33.13 H new ATOM 1077 N ILE A 64 7.655 4.557 5.268 1.00 33.40 N ATOM 1078 CA ILE A 64 8.608 3.474 5.444 1.00 14.20 C ATOM 1079 C ILE A 64 8.626 3.089 6.924 1.00 64.55 C ATOM 1080 O ILE A 64 8.481 1.908 7.237 1.00 34.40 O ATOM 1081 CB ILE A 64 9.984 3.892 4.864 1.00 20.41 C ATOM 1082 CG1 ILE A 64 9.912 3.775 3.324 1.00 73.02 C ATOM 1083 CG2 ILE A 64 11.137 3.034 5.413 1.00 14.32 C ATOM 1084 CD1 ILE A 64 11.066 4.439 2.571 1.00 72.35 C ATOM 0 H ILE A 64 8.077 5.400 4.878 1.00 33.40 H new ATOM 0 HA ILE A 64 8.323 2.580 4.890 1.00 14.20 H new ATOM 0 HB ILE A 64 10.194 4.918 5.165 1.00 20.41 H new ATOM 0 HG12 ILE A 64 9.883 2.719 3.056 1.00 73.02 H new ATOM 0 HG13 ILE A 64 8.975 4.216 2.984 1.00 73.02 H new ATOM 0 HG21 ILE A 64 12.078 3.367 4.976 1.00 14.32 H new ATOM 0 HG22 ILE A 64 11.183 3.138 6.497 1.00 14.32 H new ATOM 0 HG23 ILE A 64 10.967 1.989 5.156 1.00 14.32 H new ATOM 0 HD11 ILE A 64 10.927 4.303 1.499 1.00 72.35 H new ATOM 0 HD12 ILE A 64 11.086 5.504 2.802 1.00 72.35 H new ATOM 0 HD13 ILE A 64 12.009 3.984 2.875 1.00 72.35 H new ATOM 1096 N LYS A 65 8.775 4.043 7.849 1.00 23.20 N ATOM 1097 CA LYS A 65 8.796 3.757 9.283 1.00 41.43 C ATOM 1098 C LYS A 65 7.554 2.977 9.737 1.00 55.34 C ATOM 1099 O LYS A 65 7.751 1.977 10.434 1.00 22.31 O ATOM 1100 CB LYS A 65 9.082 5.048 10.078 1.00 14.20 C ATOM 1101 CG LYS A 65 8.712 4.988 11.574 1.00 54.44 C ATOM 1102 CD LYS A 65 7.356 5.674 11.796 1.00 34.35 C ATOM 1103 CE LYS A 65 6.742 5.531 13.191 1.00 53.11 C ATOM 1104 NZ LYS A 65 7.469 6.282 14.232 1.00 23.33 N ATOM 0 H LYS A 65 8.884 5.032 7.623 1.00 23.20 H new ATOM 0 HA LYS A 65 9.621 3.079 9.502 1.00 41.43 H new ATOM 0 HB2 LYS A 65 10.143 5.283 9.991 1.00 14.20 H new ATOM 0 HB3 LYS A 65 8.534 5.870 9.616 1.00 14.20 H new ATOM 0 HG2 LYS A 65 8.665 3.951 11.906 1.00 54.44 H new ATOM 0 HG3 LYS A 65 9.482 5.479 12.170 1.00 54.44 H new ATOM 0 HD2 LYS A 65 7.471 6.736 11.580 1.00 34.35 H new ATOM 0 HD3 LYS A 65 6.648 5.276 11.069 1.00 34.35 H new ATOM 0 HE2 LYS A 65 5.708 5.874 13.161 1.00 53.11 H new ATOM 0 HE3 LYS A 65 6.720 4.476 13.464 1.00 53.11 H new ATOM 0 HZ1 LYS A 65 7.002 6.143 15.151 1.00 23.33 H new ATOM 0 HZ2 LYS A 65 8.449 5.939 14.286 1.00 23.33 H new ATOM 0 HZ3 LYS A 65 7.469 7.294 13.994 1.00 23.33 H new ATOM 1118 N ILE A 66 6.318 3.372 9.393 1.00 23.10 N ATOM 1119 CA ILE A 66 5.124 2.627 9.822 1.00 44.24 C ATOM 1120 C ILE A 66 5.211 1.210 9.241 1.00 64.52 C ATOM 1121 O ILE A 66 4.970 0.228 9.947 1.00 62.45 O ATOM 1122 CB ILE A 66 3.794 3.367 9.481 1.00 35.11 C ATOM 1123 CG1 ILE A 66 3.468 4.502 10.488 1.00 44.32 C ATOM 1124 CG2 ILE A 66 2.583 2.407 9.462 1.00 52.45 C ATOM 1125 CD1 ILE A 66 3.941 5.886 10.046 1.00 54.41 C ATOM 0 H ILE A 66 6.120 4.195 8.824 1.00 23.10 H new ATOM 0 HA ILE A 66 5.105 2.557 10.910 1.00 44.24 H new ATOM 0 HB ILE A 66 3.957 3.789 8.490 1.00 35.11 H new ATOM 0 HG12 ILE A 66 2.390 4.532 10.648 1.00 44.32 H new ATOM 0 HG13 ILE A 66 3.926 4.263 11.448 1.00 44.32 H new ATOM 0 HG21 ILE A 66 1.679 2.966 9.220 1.00 52.45 H new ATOM 0 HG22 ILE A 66 2.743 1.634 8.711 1.00 52.45 H new ATOM 0 HG23 ILE A 66 2.471 1.943 10.442 1.00 52.45 H new ATOM 0 HD11 ILE A 66 3.674 6.621 10.805 1.00 54.41 H new ATOM 0 HD12 ILE A 66 5.023 5.876 9.915 1.00 54.41 H new ATOM 0 HD13 ILE A 66 3.464 6.149 9.102 1.00 54.41 H new ATOM 1137 N ILE A 67 5.600 1.071 7.971 1.00 12.24 N ATOM 1138 CA ILE A 67 5.720 -0.235 7.337 1.00 52.25 C ATOM 1139 C ILE A 67 6.752 -1.083 8.094 1.00 1.13 C ATOM 1140 O ILE A 67 6.442 -2.233 8.414 1.00 74.34 O ATOM 1141 CB ILE A 67 5.941 -0.050 5.812 1.00 74.42 C ATOM 1142 CG1 ILE A 67 4.603 -0.262 5.067 1.00 62.43 C ATOM 1143 CG2 ILE A 67 7.007 -0.964 5.192 1.00 73.53 C ATOM 1144 CD1 ILE A 67 3.480 0.668 5.548 1.00 35.24 C ATOM 0 H ILE A 67 5.837 1.854 7.363 1.00 12.24 H new ATOM 0 HA ILE A 67 4.801 -0.817 7.405 1.00 52.25 H new ATOM 0 HB ILE A 67 6.315 0.967 5.696 1.00 74.42 H new ATOM 0 HG12 ILE A 67 4.762 -0.105 4.000 1.00 62.43 H new ATOM 0 HG13 ILE A 67 4.286 -1.297 5.194 1.00 62.43 H new ATOM 0 HG21 ILE A 67 7.086 -0.758 4.125 1.00 73.53 H new ATOM 0 HG22 ILE A 67 7.969 -0.778 5.670 1.00 73.53 H new ATOM 0 HG23 ILE A 67 6.724 -2.006 5.341 1.00 73.53 H new ATOM 0 HD11 ILE A 67 2.571 0.464 4.982 1.00 35.24 H new ATOM 0 HD12 ILE A 67 3.294 0.496 6.608 1.00 35.24 H new ATOM 0 HD13 ILE A 67 3.777 1.706 5.396 1.00 35.24 H new ATOM 1156 N ARG A 68 7.933 -0.552 8.451 1.00 52.21 N ATOM 1157 CA ARG A 68 8.928 -1.326 9.186 1.00 14.23 C ATOM 1158 C ARG A 68 8.419 -1.655 10.577 1.00 45.43 C ATOM 1159 O ARG A 68 8.758 -2.710 11.103 1.00 31.13 O ATOM 1160 CB ARG A 68 10.271 -0.584 9.280 1.00 15.32 C ATOM 1161 CG ARG A 68 10.957 -0.330 7.932 1.00 23.52 C ATOM 1162 CD ARG A 68 12.381 0.220 8.121 1.00 13.43 C ATOM 1163 NE ARG A 68 13.371 -0.865 8.045 1.00 15.14 N ATOM 1164 CZ ARG A 68 14.702 -0.745 8.160 1.00 41.44 C ATOM 1165 NH1 ARG A 68 15.258 0.452 8.235 1.00 72.43 N ATOM 1166 NH2 ARG A 68 15.484 -1.818 8.161 1.00 15.14 N ATOM 0 H ARG A 68 8.214 0.406 8.241 1.00 52.21 H new ATOM 0 HA ARG A 68 9.095 -2.251 8.635 1.00 14.23 H new ATOM 0 HB2 ARG A 68 10.108 0.373 9.776 1.00 15.32 H new ATOM 0 HB3 ARG A 68 10.946 -1.160 9.913 1.00 15.32 H new ATOM 0 HG2 ARG A 68 10.997 -1.258 7.362 1.00 23.52 H new ATOM 0 HG3 ARG A 68 10.367 0.377 7.349 1.00 23.52 H new ATOM 0 HD2 ARG A 68 12.593 0.966 7.355 1.00 13.43 H new ATOM 0 HD3 ARG A 68 12.457 0.722 9.085 1.00 13.43 H new ATOM 0 HE ARG A 68 13.008 -1.805 7.889 1.00 15.14 H new ATOM 0 HH11 ARG A 68 14.675 1.288 8.206 1.00 72.43 H new ATOM 0 HH12 ARG A 68 16.270 0.539 8.322 1.00 72.43 H new ATOM 0 HH21 ARG A 68 15.074 -2.748 8.074 1.00 15.14 H new ATOM 0 HH22 ARG A 68 16.495 -1.712 8.249 1.00 15.14 H new ATOM 1180 N ARG A 69 7.609 -0.782 11.179 1.00 12.32 N ATOM 1181 CA ARG A 69 7.090 -1.002 12.514 1.00 54.25 C ATOM 1182 C ARG A 69 6.183 -2.207 12.584 1.00 4.30 C ATOM 1183 O ARG A 69 6.478 -3.116 13.358 1.00 42.04 O ATOM 1184 CB ARG A 69 6.325 0.233 13.013 1.00 34.43 C ATOM 1185 CG ARG A 69 5.790 0.043 14.446 1.00 70.31 C ATOM 1186 CD ARG A 69 6.878 -0.271 15.483 1.00 43.02 C ATOM 1187 NE ARG A 69 7.985 0.708 15.489 1.00 23.50 N ATOM 1188 CZ ARG A 69 9.263 0.474 15.147 1.00 53.23 C ATOM 1189 NH1 ARG A 69 9.670 -0.760 14.848 1.00 30.20 N ATOM 1190 NH2 ARG A 69 10.132 1.477 15.094 1.00 63.44 N ATOM 0 H ARG A 69 7.300 0.091 10.750 1.00 12.32 H new ATOM 0 HA ARG A 69 7.953 -1.186 13.155 1.00 54.25 H new ATOM 0 HB2 ARG A 69 6.982 1.102 12.984 1.00 34.43 H new ATOM 0 HB3 ARG A 69 5.493 0.440 12.340 1.00 34.43 H new ATOM 0 HG2 ARG A 69 5.264 0.948 14.749 1.00 70.31 H new ATOM 0 HG3 ARG A 69 5.059 -0.765 14.446 1.00 70.31 H new ATOM 0 HD2 ARG A 69 6.426 -0.303 16.474 1.00 43.02 H new ATOM 0 HD3 ARG A 69 7.282 -1.264 15.285 1.00 43.02 H new ATOM 0 HE ARG A 69 7.756 1.658 15.783 1.00 23.50 H new ATOM 0 HH11 ARG A 69 9.009 -1.536 14.878 1.00 30.20 H new ATOM 0 HH12 ARG A 69 10.642 -0.928 14.589 1.00 30.20 H new ATOM 0 HH21 ARG A 69 9.829 2.426 15.313 1.00 63.44 H new ATOM 0 HH22 ARG A 69 11.102 1.298 14.834 1.00 63.44 H new ATOM 1204 N ARG A 70 5.093 -2.219 11.818 1.00 52.22 N ATOM 1205 CA ARG A 70 4.166 -3.341 11.871 1.00 52.43 C ATOM 1206 C ARG A 70 4.785 -4.628 11.336 1.00 72.42 C ATOM 1207 O ARG A 70 4.526 -5.683 11.909 1.00 10.43 O ATOM 1208 CB ARG A 70 2.838 -3.014 11.175 1.00 43.31 C ATOM 1209 CG ARG A 70 2.989 -2.364 9.788 1.00 42.41 C ATOM 1210 CD ARG A 70 2.010 -2.965 8.771 1.00 11.00 C ATOM 1211 NE ARG A 70 2.379 -4.354 8.415 1.00 22.13 N ATOM 1212 CZ ARG A 70 3.353 -4.743 7.583 1.00 70.44 C ATOM 1213 NH1 ARG A 70 4.013 -3.842 6.852 1.00 50.05 N ATOM 1214 NH2 ARG A 70 3.635 -6.039 7.490 1.00 4.24 N ATOM 0 H ARG A 70 4.836 -1.478 11.166 1.00 52.22 H new ATOM 0 HA ARG A 70 3.944 -3.516 12.924 1.00 52.43 H new ATOM 0 HB2 ARG A 70 2.261 -3.933 11.071 1.00 43.31 H new ATOM 0 HB3 ARG A 70 2.262 -2.346 11.815 1.00 43.31 H new ATOM 0 HG2 ARG A 70 2.817 -1.291 9.868 1.00 42.41 H new ATOM 0 HG3 ARG A 70 4.011 -2.498 9.433 1.00 42.41 H new ATOM 0 HD2 ARG A 70 1.001 -2.950 9.184 1.00 11.00 H new ATOM 0 HD3 ARG A 70 1.996 -2.350 7.871 1.00 11.00 H new ATOM 0 HE ARG A 70 1.831 -5.096 8.851 1.00 22.13 H new ATOM 0 HH11 ARG A 70 3.776 -2.853 6.926 1.00 50.05 H new ATOM 0 HH12 ARG A 70 4.754 -4.143 6.219 1.00 50.05 H new ATOM 0 HH21 ARG A 70 3.113 -6.716 8.047 1.00 4.24 H new ATOM 0 HH22 ARG A 70 4.373 -6.356 6.862 1.00 4.24 H new ATOM 1228 N LEU A 71 5.592 -4.558 10.271 1.00 63.11 N ATOM 1229 CA LEU A 71 6.253 -5.733 9.695 1.00 71.51 C ATOM 1230 C LEU A 71 7.298 -6.291 10.673 1.00 31.31 C ATOM 1231 O LEU A 71 7.606 -7.480 10.647 1.00 42.13 O ATOM 1232 CB LEU A 71 6.927 -5.319 8.377 1.00 50.44 C ATOM 1233 CG LEU A 71 7.524 -6.499 7.584 1.00 51.45 C ATOM 1234 CD1 LEU A 71 7.300 -6.312 6.080 1.00 44.34 C ATOM 1235 CD2 LEU A 71 9.031 -6.612 7.843 1.00 10.31 C ATOM 0 H LEU A 71 5.804 -3.686 9.785 1.00 63.11 H new ATOM 0 HA LEU A 71 5.516 -6.514 9.505 1.00 71.51 H new ATOM 0 HB2 LEU A 71 6.196 -4.806 7.752 1.00 50.44 H new ATOM 0 HB3 LEU A 71 7.719 -4.602 8.595 1.00 50.44 H new ATOM 0 HG LEU A 71 7.022 -7.407 7.917 1.00 51.45 H new ATOM 0 HD11 LEU A 71 7.729 -7.156 5.540 1.00 44.34 H new ATOM 0 HD12 LEU A 71 6.231 -6.257 5.876 1.00 44.34 H new ATOM 0 HD13 LEU A 71 7.780 -5.390 5.752 1.00 44.34 H new ATOM 0 HD21 LEU A 71 9.436 -7.450 7.276 1.00 10.31 H new ATOM 0 HD22 LEU A 71 9.524 -5.691 7.532 1.00 10.31 H new ATOM 0 HD23 LEU A 71 9.206 -6.776 8.906 1.00 10.31 H new ATOM 1247 N GLN A 72 7.792 -5.429 11.566 1.00 4.44 N ATOM 1248 CA GLN A 72 8.804 -5.692 12.578 1.00 54.42 C ATOM 1249 C GLN A 72 10.128 -5.963 11.861 1.00 54.03 C ATOM 1250 O GLN A 72 10.796 -6.963 12.106 1.00 51.01 O ATOM 1251 CB GLN A 72 8.365 -6.754 13.609 1.00 53.15 C ATOM 1252 CG GLN A 72 6.910 -6.565 14.063 1.00 65.55 C ATOM 1253 CD GLN A 72 6.626 -7.223 15.403 1.00 12.42 C ATOM 1254 OE1 GLN A 72 6.832 -8.412 15.586 1.00 24.41 O ATOM 1255 NE2 GLN A 72 6.178 -6.467 16.393 1.00 63.24 N ATOM 0 H GLN A 72 7.469 -4.462 11.598 1.00 4.44 H new ATOM 0 HA GLN A 72 8.950 -4.818 13.212 1.00 54.42 H new ATOM 0 HB2 GLN A 72 8.481 -7.747 13.175 1.00 53.15 H new ATOM 0 HB3 GLN A 72 9.022 -6.707 14.477 1.00 53.15 H new ATOM 0 HG2 GLN A 72 6.690 -5.500 14.132 1.00 65.55 H new ATOM 0 HG3 GLN A 72 6.241 -6.981 13.309 1.00 65.55 H new ATOM 0 HE21 GLN A 72 6.006 -5.473 16.239 1.00 63.24 H new ATOM 0 HE22 GLN A 72 6.005 -6.878 17.310 1.00 63.24 H new ATOM 1264 N LEU A 73 10.481 -5.078 10.912 1.00 74.51 N ATOM 1265 CA LEU A 73 11.709 -5.192 10.152 1.00 30.31 C ATOM 1266 C LEU A 73 12.857 -5.157 11.156 1.00 44.22 C ATOM 1267 O LEU A 73 12.922 -4.282 12.028 1.00 14.33 O ATOM 1268 CB LEU A 73 11.822 -4.066 9.115 1.00 51.03 C ATOM 1269 CG LEU A 73 12.682 -4.349 7.869 1.00 51.35 C ATOM 1270 CD1 LEU A 73 14.104 -4.851 8.118 1.00 72.02 C ATOM 1271 CD2 LEU A 73 12.026 -5.280 6.855 1.00 13.52 C ATOM 0 H LEU A 73 9.914 -4.268 10.661 1.00 74.51 H new ATOM 0 HA LEU A 73 11.733 -6.123 9.586 1.00 30.31 H new ATOM 0 HB2 LEU A 73 10.816 -3.810 8.782 1.00 51.03 H new ATOM 0 HB3 LEU A 73 12.227 -3.185 9.614 1.00 51.03 H new ATOM 0 HG LEU A 73 12.760 -3.342 7.460 1.00 51.35 H new ATOM 0 HD11 LEU A 73 14.605 -5.013 7.164 1.00 72.02 H new ATOM 0 HD12 LEU A 73 14.655 -4.110 8.697 1.00 72.02 H new ATOM 0 HD13 LEU A 73 14.067 -5.789 8.672 1.00 72.02 H new ATOM 0 HD21 LEU A 73 12.697 -5.427 6.009 1.00 13.52 H new ATOM 0 HD22 LEU A 73 11.818 -6.241 7.325 1.00 13.52 H new ATOM 0 HD23 LEU A 73 11.093 -4.838 6.505 1.00 13.52 H new ATOM 1283 N ASN A 74 13.734 -6.133 10.973 1.00 12.30 N ATOM 1284 CA ASN A 74 14.939 -6.427 11.722 1.00 4.32 C ATOM 1285 C ASN A 74 15.868 -5.219 11.829 1.00 72.52 C ATOM 1286 O ASN A 74 15.779 -4.267 11.050 1.00 42.02 O ATOM 1287 CB ASN A 74 15.691 -7.535 10.957 1.00 43.25 C ATOM 1288 CG ASN A 74 16.062 -8.722 11.817 1.00 54.02 C ATOM 1289 OD1 ASN A 74 16.296 -8.602 13.008 1.00 65.43 O ATOM 1290 ND2 ASN A 74 16.172 -9.876 11.190 1.00 41.42 N ATOM 0 H ASN A 74 13.602 -6.805 10.218 1.00 12.30 H new ATOM 0 HA ASN A 74 14.656 -6.722 12.732 1.00 4.32 H new ATOM 0 HB2 ASN A 74 15.071 -7.877 10.128 1.00 43.25 H new ATOM 0 HB3 ASN A 74 16.598 -7.114 10.524 1.00 43.25 H new ATOM 0 HD21 ASN A 74 16.462 -10.709 11.702 1.00 41.42 H new ATOM 0 HD22 ASN A 74 15.967 -9.936 10.193 1.00 41.42 H new ATOM 1297 N ALA A 75 16.822 -5.304 12.747 1.00 73.13 N ATOM 1298 CA ALA A 75 17.843 -4.288 12.962 1.00 52.05 C ATOM 1299 C ALA A 75 19.137 -4.789 12.308 1.00 2.34 C ATOM 1300 O ALA A 75 20.010 -3.986 11.960 1.00 31.11 O ATOM 1301 CB ALA A 75 18.041 -4.011 14.453 1.00 11.20 C ATOM 0 H ALA A 75 16.909 -6.101 13.378 1.00 73.13 H new ATOM 0 HA ALA A 75 17.538 -3.343 12.513 1.00 52.05 H new ATOM 0 HB1 ALA A 75 18.809 -3.249 14.583 1.00 11.20 H new ATOM 0 HB2 ALA A 75 17.104 -3.660 14.885 1.00 11.20 H new ATOM 0 HB3 ALA A 75 18.351 -4.927 14.955 1.00 11.20 H new ATOM 1307 N ASN A 76 19.253 -6.110 12.103 1.00 70.54 N ATOM 1308 CA ASN A 76 20.419 -6.725 11.485 1.00 71.03 C ATOM 1309 C ASN A 76 20.279 -6.764 9.964 1.00 2.40 C ATOM 1310 O ASN A 76 21.236 -7.116 9.281 1.00 53.42 O ATOM 1311 CB ASN A 76 20.666 -8.131 12.066 1.00 73.15 C ATOM 1312 CG ASN A 76 19.538 -9.127 11.850 1.00 13.34 C ATOM 1313 OD1 ASN A 76 19.037 -9.309 10.644 1.00 34.30 O flip ATOM 1314 ND2 ASN A 76 19.060 -9.761 12.782 1.00 10.32 N flip ATOM 0 H ASN A 76 18.530 -6.779 12.367 1.00 70.54 H new ATOM 0 HA ASN A 76 21.290 -6.112 11.716 1.00 71.03 H new ATOM 0 HB2 ASN A 76 21.576 -8.535 11.623 1.00 73.15 H new ATOM 0 HB3 ASN A 76 20.847 -8.038 13.137 1.00 73.15 H new ATOM 0 HD21 ASN A 76 19.430 -9.639 13.725 1.00 10.32 H new ATOM 0 HD22 ASN A 76 18.292 -10.412 12.616 1.00 10.32 H new ATOM 1321 N GLN A 77 19.084 -6.504 9.418 1.00 23.11 N ATOM 1322 CA GLN A 77 18.851 -6.504 7.982 1.00 63.34 C ATOM 1323 C GLN A 77 18.131 -5.233 7.583 1.00 72.15 C ATOM 1324 O GLN A 77 17.429 -4.636 8.399 1.00 70.35 O ATOM 1325 CB GLN A 77 18.151 -7.777 7.506 1.00 43.41 C ATOM 1326 CG GLN A 77 16.626 -7.688 7.388 1.00 31.14 C ATOM 1327 CD GLN A 77 16.064 -9.068 7.099 1.00 13.32 C ATOM 1328 OE1 GLN A 77 15.335 -9.631 7.915 1.00 25.13 O ATOM 1329 NE2 GLN A 77 16.413 -9.612 5.946 1.00 43.13 N ATOM 0 H GLN A 77 18.253 -6.288 9.969 1.00 23.11 H new ATOM 0 HA GLN A 77 19.813 -6.512 7.469 1.00 63.34 H new ATOM 0 HB2 GLN A 77 18.558 -8.052 6.533 1.00 43.41 H new ATOM 0 HB3 GLN A 77 18.398 -8.585 8.194 1.00 43.41 H new ATOM 0 HG2 GLN A 77 16.201 -7.296 8.312 1.00 31.14 H new ATOM 0 HG3 GLN A 77 16.351 -6.997 6.591 1.00 31.14 H new ATOM 0 HE21 GLN A 77 17.020 -9.102 5.305 1.00 43.13 H new ATOM 0 HE22 GLN A 77 16.075 -10.542 5.698 1.00 43.13 H new ATOM 1338 N ALA A 78 18.346 -4.819 6.342 1.00 65.05 N ATOM 1339 CA ALA A 78 17.762 -3.617 5.775 1.00 40.35 C ATOM 1340 C ALA A 78 16.897 -3.966 4.571 1.00 62.44 C ATOM 1341 O ALA A 78 16.927 -5.103 4.075 1.00 32.12 O ATOM 1342 CB ALA A 78 18.884 -2.631 5.440 1.00 2.13 C ATOM 0 H ALA A 78 18.946 -5.323 5.689 1.00 65.05 H new ATOM 0 HA ALA A 78 17.101 -3.136 6.496 1.00 40.35 H new ATOM 0 HB1 ALA A 78 18.456 -1.724 5.013 1.00 2.13 H new ATOM 0 HB2 ALA A 78 19.432 -2.381 6.348 1.00 2.13 H new ATOM 0 HB3 ALA A 78 19.564 -3.085 4.719 1.00 2.13 H new ATOM 1348 N PHE A 79 16.108 -3.002 4.103 1.00 62.44 N ATOM 1349 CA PHE A 79 15.248 -3.186 2.948 1.00 35.12 C ATOM 1350 C PHE A 79 15.076 -1.866 2.200 1.00 32.04 C ATOM 1351 O PHE A 79 15.458 -0.796 2.691 1.00 20.24 O ATOM 1352 CB PHE A 79 13.889 -3.765 3.389 1.00 52.23 C ATOM 1353 CG PHE A 79 12.809 -2.725 3.624 1.00 32.31 C ATOM 1354 CD1 PHE A 79 12.969 -1.745 4.619 1.00 14.13 C ATOM 1355 CD2 PHE A 79 11.722 -2.643 2.734 1.00 32.43 C ATOM 1356 CE1 PHE A 79 12.050 -0.688 4.709 1.00 40.35 C ATOM 1357 CE2 PHE A 79 10.785 -1.601 2.849 1.00 13.32 C ATOM 1358 CZ PHE A 79 10.946 -0.626 3.844 1.00 12.52 C ATOM 0 H PHE A 79 16.050 -2.072 4.518 1.00 62.44 H new ATOM 0 HA PHE A 79 15.712 -3.897 2.265 1.00 35.12 H new ATOM 0 HB2 PHE A 79 13.543 -4.465 2.629 1.00 52.23 H new ATOM 0 HB3 PHE A 79 14.032 -4.336 4.306 1.00 52.23 H new ATOM 0 HD1 PHE A 79 13.796 -1.805 5.311 1.00 14.13 H new ATOM 0 HD2 PHE A 79 11.607 -3.385 1.958 1.00 32.43 H new ATOM 0 HE1 PHE A 79 12.193 0.084 5.450 1.00 40.35 H new ATOM 0 HE2 PHE A 79 9.944 -1.552 2.173 1.00 13.32 H new ATOM 0 HZ PHE A 79 10.223 0.170 3.945 1.00 12.52 H new ATOM 1368 N PHE A 80 14.462 -1.958 1.027 1.00 72.14 N ATOM 1369 CA PHE A 80 14.166 -0.837 0.167 1.00 42.53 C ATOM 1370 C PHE A 80 12.724 -0.978 -0.305 1.00 34.24 C ATOM 1371 O PHE A 80 12.149 -2.074 -0.340 1.00 75.24 O ATOM 1372 CB PHE A 80 15.122 -0.798 -1.023 1.00 43.23 C ATOM 1373 CG PHE A 80 16.590 -0.567 -0.716 1.00 44.32 C ATOM 1374 CD1 PHE A 80 17.440 -1.660 -0.467 1.00 31.31 C ATOM 1375 CD2 PHE A 80 17.137 0.728 -0.798 1.00 40.45 C ATOM 1376 CE1 PHE A 80 18.828 -1.467 -0.359 1.00 60.45 C ATOM 1377 CE2 PHE A 80 18.522 0.924 -0.650 1.00 71.01 C ATOM 1378 CZ PHE A 80 19.371 -0.174 -0.442 1.00 24.23 C ATOM 0 H PHE A 80 14.149 -2.849 0.642 1.00 72.14 H new ATOM 0 HA PHE A 80 14.294 0.097 0.713 1.00 42.53 H new ATOM 0 HB2 PHE A 80 15.032 -1.741 -1.561 1.00 43.23 H new ATOM 0 HB3 PHE A 80 14.789 -0.011 -1.700 1.00 43.23 H new ATOM 0 HD1 PHE A 80 17.024 -2.651 -0.358 1.00 31.31 H new ATOM 0 HD2 PHE A 80 16.490 1.575 -0.975 1.00 40.45 H new ATOM 0 HE1 PHE A 80 19.479 -2.316 -0.212 1.00 60.45 H new ATOM 0 HE2 PHE A 80 18.933 1.922 -0.697 1.00 71.01 H new ATOM 0 HZ PHE A 80 20.436 -0.026 -0.346 1.00 24.23 H new ATOM 1388 N LEU A 81 12.149 0.169 -0.638 1.00 72.13 N ATOM 1389 CA LEU A 81 10.800 0.354 -1.122 1.00 20.23 C ATOM 1390 C LEU A 81 10.940 0.905 -2.533 1.00 42.24 C ATOM 1391 O LEU A 81 11.662 1.878 -2.766 1.00 22.42 O ATOM 1392 CB LEU A 81 10.092 1.353 -0.194 1.00 1.34 C ATOM 1393 CG LEU A 81 8.634 1.638 -0.591 1.00 12.43 C ATOM 1394 CD1 LEU A 81 7.728 0.460 -0.218 1.00 62.22 C ATOM 1395 CD2 LEU A 81 8.151 2.879 0.159 1.00 44.31 C ATOM 0 H LEU A 81 12.653 1.053 -0.570 1.00 72.13 H new ATOM 0 HA LEU A 81 10.213 -0.565 -1.134 1.00 20.23 H new ATOM 0 HB2 LEU A 81 10.113 0.967 0.825 1.00 1.34 H new ATOM 0 HB3 LEU A 81 10.648 2.290 -0.191 1.00 1.34 H new ATOM 0 HG LEU A 81 8.590 1.792 -1.669 1.00 12.43 H new ATOM 0 HD11 LEU A 81 6.702 0.684 -0.508 1.00 62.22 H new ATOM 0 HD12 LEU A 81 8.065 -0.437 -0.738 1.00 62.22 H new ATOM 0 HD13 LEU A 81 7.772 0.293 0.858 1.00 62.22 H new ATOM 0 HD21 LEU A 81 7.117 3.091 -0.115 1.00 44.31 H new ATOM 0 HD22 LEU A 81 8.213 2.702 1.233 1.00 44.31 H new ATOM 0 HD23 LEU A 81 8.778 3.731 -0.105 1.00 44.31 H new ATOM 1407 N LEU A 82 10.252 0.282 -3.472 1.00 1.53 N ATOM 1408 CA LEU A 82 10.242 0.640 -4.877 1.00 11.33 C ATOM 1409 C LEU A 82 8.861 1.177 -5.226 1.00 24.22 C ATOM 1410 O LEU A 82 7.875 0.801 -4.591 1.00 40.24 O ATOM 1411 CB LEU A 82 10.573 -0.591 -5.729 1.00 72.12 C ATOM 1412 CG LEU A 82 11.875 -1.306 -5.311 1.00 52.22 C ATOM 1413 CD1 LEU A 82 11.620 -2.477 -4.348 1.00 34.04 C ATOM 1414 CD2 LEU A 82 12.623 -1.774 -6.562 1.00 52.41 C ATOM 0 H LEU A 82 9.659 -0.522 -3.266 1.00 1.53 H new ATOM 0 HA LEU A 82 10.992 1.404 -5.079 1.00 11.33 H new ATOM 0 HB2 LEU A 82 9.745 -1.298 -5.667 1.00 72.12 H new ATOM 0 HB3 LEU A 82 10.655 -0.288 -6.773 1.00 72.12 H new ATOM 0 HG LEU A 82 12.491 -0.592 -4.765 1.00 52.22 H new ATOM 0 HD11 LEU A 82 12.569 -2.945 -4.085 1.00 34.04 H new ATOM 0 HD12 LEU A 82 11.136 -2.106 -3.444 1.00 34.04 H new ATOM 0 HD13 LEU A 82 10.974 -3.211 -4.830 1.00 34.04 H new ATOM 0 HD21 LEU A 82 13.543 -2.279 -6.268 1.00 52.41 H new ATOM 0 HD22 LEU A 82 11.994 -2.464 -7.125 1.00 52.41 H new ATOM 0 HD23 LEU A 82 12.865 -0.913 -7.185 1.00 52.41 H new ATOM 1426 N VAL A 83 8.787 2.039 -6.235 1.00 72.14 N ATOM 1427 CA VAL A 83 7.548 2.642 -6.710 1.00 33.03 C ATOM 1428 C VAL A 83 7.416 2.134 -8.139 1.00 0.14 C ATOM 1429 O VAL A 83 8.397 2.162 -8.872 1.00 44.42 O ATOM 1430 CB VAL A 83 7.593 4.175 -6.556 1.00 61.13 C ATOM 1431 CG1 VAL A 83 6.179 4.726 -6.767 1.00 33.33 C ATOM 1432 CG2 VAL A 83 8.066 4.613 -5.156 1.00 53.51 C ATOM 0 H VAL A 83 9.608 2.345 -6.758 1.00 72.14 H new ATOM 0 HA VAL A 83 6.663 2.366 -6.137 1.00 33.03 H new ATOM 0 HB VAL A 83 8.300 4.559 -7.291 1.00 61.13 H new ATOM 0 HG11 VAL A 83 6.192 5.811 -6.662 1.00 33.33 H new ATOM 0 HG12 VAL A 83 5.831 4.463 -7.766 1.00 33.33 H new ATOM 0 HG13 VAL A 83 5.507 4.297 -6.024 1.00 33.33 H new ATOM 0 HG21 VAL A 83 8.080 5.702 -5.101 1.00 53.51 H new ATOM 0 HG22 VAL A 83 7.384 4.220 -4.402 1.00 53.51 H new ATOM 0 HG23 VAL A 83 9.069 4.228 -4.974 1.00 53.51 H new ATOM 1442 N ASN A 84 6.249 1.616 -8.528 1.00 75.22 N ATOM 1443 CA ASN A 84 5.979 1.022 -9.849 1.00 4.21 C ATOM 1444 C ASN A 84 7.004 -0.095 -10.175 1.00 72.42 C ATOM 1445 O ASN A 84 7.211 -0.459 -11.335 1.00 71.11 O ATOM 1446 CB ASN A 84 5.954 2.091 -10.965 1.00 24.12 C ATOM 1447 CG ASN A 84 4.661 2.866 -11.081 1.00 33.33 C ATOM 1448 OD1 ASN A 84 3.582 2.344 -10.817 1.00 74.45 O ATOM 1449 ND2 ASN A 84 4.748 4.103 -11.520 1.00 44.41 N ATOM 0 H ASN A 84 5.435 1.595 -7.914 1.00 75.22 H new ATOM 0 HA ASN A 84 4.987 0.573 -9.806 1.00 4.21 H new ATOM 0 HB2 ASN A 84 6.767 2.795 -10.791 1.00 24.12 H new ATOM 0 HB3 ASN A 84 6.154 1.603 -11.919 1.00 24.12 H new ATOM 0 HD21 ASN A 84 3.903 4.659 -11.650 1.00 44.41 H new ATOM 0 HD22 ASN A 84 5.661 4.507 -11.730 1.00 44.41 H new ATOM 1456 N GLY A 85 7.704 -0.628 -9.168 1.00 0.22 N ATOM 1457 CA GLY A 85 8.720 -1.662 -9.282 1.00 0.51 C ATOM 1458 C GLY A 85 10.136 -1.096 -9.465 1.00 34.32 C ATOM 1459 O GLY A 85 11.043 -1.873 -9.743 1.00 72.43 O ATOM 0 H GLY A 85 7.564 -0.329 -8.203 1.00 0.22 H new ATOM 0 HA2 GLY A 85 8.697 -2.286 -8.389 1.00 0.51 H new ATOM 0 HA3 GLY A 85 8.481 -2.307 -10.127 1.00 0.51 H new ATOM 1463 N HIS A 86 10.359 0.217 -9.311 1.00 74.11 N ATOM 1464 CA HIS A 86 11.665 0.858 -9.453 1.00 41.15 C ATOM 1465 C HIS A 86 11.924 1.845 -8.304 1.00 24.30 C ATOM 1466 O HIS A 86 11.120 2.730 -8.008 1.00 22.43 O ATOM 1467 CB HIS A 86 11.831 1.506 -10.844 1.00 51.53 C ATOM 1468 CG HIS A 86 10.724 2.402 -11.353 1.00 52.14 C ATOM 1469 ND1 HIS A 86 10.852 3.715 -11.746 1.00 33.30 N ATOM 1470 CD2 HIS A 86 9.472 1.999 -11.730 1.00 34.44 C ATOM 1471 CE1 HIS A 86 9.695 4.086 -12.320 1.00 31.43 C ATOM 1472 NE2 HIS A 86 8.833 3.061 -12.363 1.00 11.14 N ATOM 0 H HIS A 86 9.615 0.875 -9.079 1.00 74.11 H new ATOM 0 HA HIS A 86 12.430 0.085 -9.383 1.00 41.15 H new ATOM 0 HB2 HIS A 86 12.752 2.089 -10.832 1.00 51.53 H new ATOM 0 HB3 HIS A 86 11.971 0.705 -11.570 1.00 51.53 H new ATOM 0 HD1 HIS A 86 11.677 4.301 -11.623 1.00 33.30 H new ATOM 0 HD2 HIS A 86 9.050 1.019 -11.564 1.00 34.44 H new ATOM 0 HE1 HIS A 86 9.488 5.077 -12.696 1.00 31.43 H new ATOM 1480 N SER A 87 13.030 1.660 -7.579 1.00 55.21 N ATOM 1481 CA SER A 87 13.418 2.528 -6.476 1.00 0.31 C ATOM 1482 C SER A 87 14.167 3.699 -7.117 1.00 61.04 C ATOM 1483 O SER A 87 15.363 3.591 -7.385 1.00 61.41 O ATOM 1484 CB SER A 87 14.270 1.756 -5.448 1.00 42.14 C ATOM 1485 OG SER A 87 14.103 2.266 -4.135 1.00 0.51 O ATOM 0 H SER A 87 13.684 0.895 -7.746 1.00 55.21 H new ATOM 0 HA SER A 87 12.560 2.895 -5.912 1.00 0.31 H new ATOM 0 HB2 SER A 87 13.994 0.702 -5.466 1.00 42.14 H new ATOM 0 HB3 SER A 87 15.321 1.815 -5.730 1.00 42.14 H new ATOM 0 HG SER A 87 13.199 2.060 -3.817 1.00 0.51 H new ATOM 1491 N MET A 88 13.458 4.784 -7.441 1.00 42.44 N ATOM 1492 CA MET A 88 14.059 5.978 -8.051 1.00 33.41 C ATOM 1493 C MET A 88 13.605 7.275 -7.374 1.00 74.15 C ATOM 1494 O MET A 88 13.928 8.358 -7.859 1.00 64.10 O ATOM 1495 CB MET A 88 13.743 6.014 -9.560 1.00 34.44 C ATOM 1496 CG MET A 88 12.276 6.364 -9.865 1.00 52.35 C ATOM 1497 SD MET A 88 11.952 6.735 -11.605 1.00 55.54 S ATOM 1498 CE MET A 88 10.322 7.523 -11.434 1.00 61.12 C ATOM 0 H MET A 88 12.452 4.861 -7.289 1.00 42.44 H new ATOM 0 HA MET A 88 15.137 5.910 -7.907 1.00 33.41 H new ATOM 0 HB2 MET A 88 14.392 6.745 -10.043 1.00 34.44 H new ATOM 0 HB3 MET A 88 13.976 5.043 -9.997 1.00 34.44 H new ATOM 0 HG2 MET A 88 11.644 5.531 -9.558 1.00 52.35 H new ATOM 0 HG3 MET A 88 11.986 7.224 -9.261 1.00 52.35 H new ATOM 0 HE1 MET A 88 9.958 7.822 -12.417 1.00 61.12 H new ATOM 0 HE2 MET A 88 9.622 6.817 -10.987 1.00 61.12 H new ATOM 0 HE3 MET A 88 10.408 8.402 -10.796 1.00 61.12 H new ATOM 1508 N VAL A 89 12.810 7.177 -6.308 1.00 74.10 N ATOM 1509 CA VAL A 89 12.254 8.311 -5.585 1.00 74.44 C ATOM 1510 C VAL A 89 12.940 8.450 -4.230 1.00 64.21 C ATOM 1511 O VAL A 89 13.232 7.456 -3.553 1.00 15.31 O ATOM 1512 CB VAL A 89 10.730 8.089 -5.464 1.00 15.44 C ATOM 1513 CG1 VAL A 89 10.022 9.267 -4.786 1.00 74.20 C ATOM 1514 CG2 VAL A 89 10.078 7.847 -6.839 1.00 51.44 C ATOM 0 H VAL A 89 12.530 6.278 -5.916 1.00 74.10 H new ATOM 0 HA VAL A 89 12.428 9.248 -6.114 1.00 74.44 H new ATOM 0 HB VAL A 89 10.611 7.201 -4.843 1.00 15.44 H new ATOM 0 HG11 VAL A 89 8.953 9.063 -4.725 1.00 74.20 H new ATOM 0 HG12 VAL A 89 10.423 9.404 -3.782 1.00 74.20 H new ATOM 0 HG13 VAL A 89 10.185 10.174 -5.369 1.00 74.20 H new ATOM 0 HG21 VAL A 89 9.006 7.695 -6.712 1.00 51.44 H new ATOM 0 HG22 VAL A 89 10.248 8.712 -7.480 1.00 51.44 H new ATOM 0 HG23 VAL A 89 10.518 6.962 -7.299 1.00 51.44 H new ATOM 1524 N SER A 90 13.201 9.689 -3.822 1.00 12.44 N ATOM 1525 CA SER A 90 13.843 10.001 -2.556 1.00 53.51 C ATOM 1526 C SER A 90 12.855 9.741 -1.408 1.00 44.43 C ATOM 1527 O SER A 90 11.719 10.221 -1.462 1.00 24.21 O ATOM 1528 CB SER A 90 14.330 11.453 -2.575 1.00 0.23 C ATOM 1529 OG SER A 90 14.722 11.852 -3.877 1.00 55.13 O ATOM 0 H SER A 90 12.967 10.515 -4.373 1.00 12.44 H new ATOM 0 HA SER A 90 14.712 9.362 -2.401 1.00 53.51 H new ATOM 0 HB2 SER A 90 13.537 12.109 -2.216 1.00 0.23 H new ATOM 0 HB3 SER A 90 15.171 11.565 -1.890 1.00 0.23 H new ATOM 0 HG SER A 90 15.026 12.783 -3.856 1.00 55.13 H new ATOM 1535 N VAL A 91 13.265 9.025 -0.360 1.00 62.00 N ATOM 1536 CA VAL A 91 12.405 8.702 0.779 1.00 2.31 C ATOM 1537 C VAL A 91 11.854 9.933 1.518 1.00 53.13 C ATOM 1538 O VAL A 91 10.822 9.833 2.170 1.00 42.22 O ATOM 1539 CB VAL A 91 13.112 7.724 1.745 1.00 12.34 C ATOM 1540 CG1 VAL A 91 13.514 6.422 1.030 1.00 52.13 C ATOM 1541 CG2 VAL A 91 14.352 8.309 2.441 1.00 44.14 C ATOM 0 H VAL A 91 14.210 8.650 -0.277 1.00 62.00 H new ATOM 0 HA VAL A 91 11.529 8.206 0.362 1.00 2.31 H new ATOM 0 HB VAL A 91 12.371 7.521 2.518 1.00 12.34 H new ATOM 0 HG11 VAL A 91 14.009 5.756 1.737 1.00 52.13 H new ATOM 0 HG12 VAL A 91 12.623 5.934 0.635 1.00 52.13 H new ATOM 0 HG13 VAL A 91 14.195 6.652 0.211 1.00 52.13 H new ATOM 0 HG21 VAL A 91 14.787 7.558 3.100 1.00 44.14 H new ATOM 0 HG22 VAL A 91 15.086 8.602 1.690 1.00 44.14 H new ATOM 0 HG23 VAL A 91 14.063 9.182 3.026 1.00 44.14 H new ATOM 1551 N SER A 92 12.472 11.110 1.424 1.00 33.15 N ATOM 1552 CA SER A 92 11.979 12.304 2.119 1.00 41.54 C ATOM 1553 C SER A 92 10.941 13.099 1.296 1.00 35.24 C ATOM 1554 O SER A 92 10.571 14.205 1.687 1.00 73.41 O ATOM 1555 CB SER A 92 13.166 13.139 2.637 1.00 22.01 C ATOM 1556 OG SER A 92 14.396 12.878 1.975 1.00 44.41 O ATOM 0 H SER A 92 13.316 11.265 0.873 1.00 33.15 H new ATOM 0 HA SER A 92 11.412 11.987 2.994 1.00 41.54 H new ATOM 0 HB2 SER A 92 12.926 14.197 2.529 1.00 22.01 H new ATOM 0 HB3 SER A 92 13.292 12.948 3.703 1.00 22.01 H new ATOM 0 HG SER A 92 15.099 13.445 2.356 1.00 44.41 H new ATOM 1562 N THR A 93 10.474 12.565 0.165 1.00 40.43 N ATOM 1563 CA THR A 93 9.501 13.201 -0.726 1.00 32.13 C ATOM 1564 C THR A 93 8.060 12.963 -0.216 1.00 55.54 C ATOM 1565 O THR A 93 7.774 11.865 0.283 1.00 64.20 O ATOM 1566 CB THR A 93 9.702 12.612 -2.143 1.00 24.13 C ATOM 1567 OG1 THR A 93 11.078 12.581 -2.488 1.00 32.35 O ATOM 1568 CG2 THR A 93 8.992 13.363 -3.263 1.00 31.14 C ATOM 0 H THR A 93 10.773 11.648 -0.167 1.00 40.43 H new ATOM 0 HA THR A 93 9.654 14.280 -0.751 1.00 32.13 H new ATOM 0 HB THR A 93 9.265 11.616 -2.070 1.00 24.13 H new ATOM 0 HG1 THR A 93 11.447 11.696 -2.283 1.00 32.35 H new ATOM 0 HG21 THR A 93 9.195 12.873 -4.215 1.00 31.14 H new ATOM 0 HG22 THR A 93 7.918 13.364 -3.077 1.00 31.14 H new ATOM 0 HG23 THR A 93 9.355 14.390 -3.299 1.00 31.14 H new ATOM 1576 N PRO A 94 7.139 13.943 -0.339 1.00 20.43 N ATOM 1577 CA PRO A 94 5.755 13.786 0.092 1.00 63.43 C ATOM 1578 C PRO A 94 5.008 12.809 -0.828 1.00 62.04 C ATOM 1579 O PRO A 94 5.151 12.831 -2.060 1.00 35.01 O ATOM 1580 CB PRO A 94 5.134 15.182 0.067 1.00 0.11 C ATOM 1581 CG PRO A 94 6.020 16.008 -0.852 1.00 61.32 C ATOM 1582 CD PRO A 94 7.360 15.277 -0.881 1.00 61.00 C ATOM 0 HA PRO A 94 5.693 13.362 1.094 1.00 63.43 H new ATOM 0 HB2 PRO A 94 4.109 15.148 -0.303 1.00 0.11 H new ATOM 0 HB3 PRO A 94 5.098 15.613 1.068 1.00 0.11 H new ATOM 0 HG2 PRO A 94 5.590 16.082 -1.851 1.00 61.32 H new ATOM 0 HG3 PRO A 94 6.135 17.025 -0.478 1.00 61.32 H new ATOM 0 HD2 PRO A 94 7.744 15.219 -1.900 1.00 61.00 H new ATOM 0 HD3 PRO A 94 8.103 15.813 -0.290 1.00 61.00 H new ATOM 1590 N ILE A 95 4.188 11.944 -0.226 1.00 64.43 N ATOM 1591 CA ILE A 95 3.420 10.953 -0.971 1.00 52.52 C ATOM 1592 C ILE A 95 2.490 11.612 -1.997 1.00 35.01 C ATOM 1593 O ILE A 95 2.165 10.969 -2.984 1.00 63.32 O ATOM 1594 CB ILE A 95 2.683 9.998 -0.005 1.00 12.53 C ATOM 1595 CG1 ILE A 95 1.977 8.817 -0.704 1.00 61.03 C ATOM 1596 CG2 ILE A 95 1.670 10.752 0.884 1.00 53.34 C ATOM 1597 CD1 ILE A 95 2.928 7.838 -1.401 1.00 42.30 C ATOM 0 H ILE A 95 4.041 11.913 0.783 1.00 64.43 H new ATOM 0 HA ILE A 95 4.112 10.342 -1.551 1.00 52.52 H new ATOM 0 HB ILE A 95 3.472 9.576 0.617 1.00 12.53 H new ATOM 0 HG12 ILE A 95 1.390 8.271 0.034 1.00 61.03 H new ATOM 0 HG13 ILE A 95 1.277 9.212 -1.440 1.00 61.03 H new ATOM 0 HG21 ILE A 95 1.173 10.046 1.549 1.00 53.34 H new ATOM 0 HG22 ILE A 95 2.194 11.502 1.477 1.00 53.34 H new ATOM 0 HG23 ILE A 95 0.927 11.242 0.254 1.00 53.34 H new ATOM 0 HD11 ILE A 95 2.351 7.039 -1.866 1.00 42.30 H new ATOM 0 HD12 ILE A 95 3.498 8.366 -2.165 1.00 42.30 H new ATOM 0 HD13 ILE A 95 3.613 7.411 -0.668 1.00 42.30 H new ATOM 1609 N SER A 96 2.054 12.857 -1.793 1.00 75.21 N ATOM 1610 CA SER A 96 1.176 13.561 -2.717 1.00 0.11 C ATOM 1611 C SER A 96 1.866 13.739 -4.069 1.00 12.51 C ATOM 1612 O SER A 96 1.268 13.413 -5.092 1.00 34.13 O ATOM 1613 CB SER A 96 0.709 14.897 -2.128 1.00 55.30 C ATOM 1614 OG SER A 96 1.749 15.593 -1.460 1.00 51.23 O ATOM 0 H SER A 96 2.306 13.407 -0.971 1.00 75.21 H new ATOM 0 HA SER A 96 0.281 12.959 -2.877 1.00 0.11 H new ATOM 0 HB2 SER A 96 0.313 15.523 -2.927 1.00 55.30 H new ATOM 0 HB3 SER A 96 -0.108 14.716 -1.430 1.00 55.30 H new ATOM 0 HG SER A 96 1.402 16.438 -1.104 1.00 51.23 H new ATOM 1620 N GLU A 97 3.105 14.241 -4.103 1.00 24.34 N ATOM 1621 CA GLU A 97 3.783 14.403 -5.382 1.00 73.01 C ATOM 1622 C GLU A 97 4.156 13.033 -5.931 1.00 21.03 C ATOM 1623 O GLU A 97 4.071 12.839 -7.142 1.00 11.43 O ATOM 1624 CB GLU A 97 4.933 15.402 -5.334 1.00 35.21 C ATOM 1625 CG GLU A 97 6.203 14.963 -4.610 1.00 63.12 C ATOM 1626 CD GLU A 97 7.176 16.140 -4.543 1.00 20.13 C ATOM 1627 OE1 GLU A 97 6.884 17.129 -3.832 1.00 33.35 O ATOM 1628 OE2 GLU A 97 8.194 16.168 -5.271 1.00 40.23 O ATOM 0 H GLU A 97 3.640 14.532 -3.285 1.00 24.34 H new ATOM 0 HA GLU A 97 3.094 14.862 -6.091 1.00 73.01 H new ATOM 0 HB2 GLU A 97 5.200 15.661 -6.359 1.00 35.21 H new ATOM 0 HB3 GLU A 97 4.570 16.313 -4.859 1.00 35.21 H new ATOM 0 HG2 GLU A 97 5.962 14.617 -3.605 1.00 63.12 H new ATOM 0 HG3 GLU A 97 6.663 14.125 -5.133 1.00 63.12 H new ATOM 1635 N VAL A 98 4.525 12.072 -5.067 1.00 15.43 N ATOM 1636 CA VAL A 98 4.841 10.731 -5.561 1.00 62.34 C ATOM 1637 C VAL A 98 3.575 10.164 -6.236 1.00 32.34 C ATOM 1638 O VAL A 98 3.676 9.515 -7.274 1.00 71.24 O ATOM 1639 CB VAL A 98 5.406 9.839 -4.438 1.00 61.41 C ATOM 1640 CG1 VAL A 98 5.716 8.413 -4.922 1.00 73.13 C ATOM 1641 CG2 VAL A 98 6.710 10.440 -3.890 1.00 20.31 C ATOM 0 H VAL A 98 4.609 12.195 -4.058 1.00 15.43 H new ATOM 0 HA VAL A 98 5.636 10.767 -6.306 1.00 62.34 H new ATOM 0 HB VAL A 98 4.638 9.792 -3.666 1.00 61.41 H new ATOM 0 HG11 VAL A 98 6.111 7.825 -4.093 1.00 73.13 H new ATOM 0 HG12 VAL A 98 4.803 7.948 -5.293 1.00 73.13 H new ATOM 0 HG13 VAL A 98 6.454 8.453 -5.723 1.00 73.13 H new ATOM 0 HG21 VAL A 98 7.100 9.802 -3.097 1.00 20.31 H new ATOM 0 HG22 VAL A 98 7.444 10.511 -4.693 1.00 20.31 H new ATOM 0 HG23 VAL A 98 6.512 11.435 -3.490 1.00 20.31 H new ATOM 1651 N TYR A 99 2.386 10.430 -5.682 1.00 2.54 N ATOM 1652 CA TYR A 99 1.106 9.984 -6.200 1.00 71.34 C ATOM 1653 C TYR A 99 0.909 10.513 -7.607 1.00 14.34 C ATOM 1654 O TYR A 99 0.743 9.721 -8.527 1.00 51.24 O ATOM 1655 CB TYR A 99 -0.050 10.450 -5.294 1.00 22.25 C ATOM 1656 CG TYR A 99 -1.421 9.856 -5.564 1.00 12.54 C ATOM 1657 CD1 TYR A 99 -1.571 8.464 -5.655 1.00 4.14 C ATOM 1658 CD2 TYR A 99 -2.564 10.680 -5.619 1.00 21.31 C ATOM 1659 CE1 TYR A 99 -2.841 7.883 -5.793 1.00 75.22 C ATOM 1660 CE2 TYR A 99 -3.845 10.110 -5.743 1.00 34.04 C ATOM 1661 CZ TYR A 99 -3.988 8.707 -5.831 1.00 44.53 C ATOM 1662 OH TYR A 99 -5.219 8.146 -5.959 1.00 12.13 O ATOM 0 H TYR A 99 2.296 10.983 -4.830 1.00 2.54 H new ATOM 0 HA TYR A 99 1.104 8.894 -6.219 1.00 71.34 H new ATOM 0 HB2 TYR A 99 0.218 10.227 -4.261 1.00 22.25 H new ATOM 0 HB3 TYR A 99 -0.129 11.534 -5.376 1.00 22.25 H new ATOM 0 HD1 TYR A 99 -0.697 7.831 -5.618 1.00 4.14 H new ATOM 0 HD2 TYR A 99 -2.456 11.753 -5.566 1.00 21.31 H new ATOM 0 HE1 TYR A 99 -2.941 6.810 -5.870 1.00 75.22 H new ATOM 0 HE2 TYR A 99 -4.718 10.745 -5.771 1.00 34.04 H new ATOM 0 HH TYR A 99 -5.143 7.296 -6.441 1.00 12.13 H new ATOM 1672 N GLU A 100 0.924 11.835 -7.793 1.00 24.12 N ATOM 1673 CA GLU A 100 0.716 12.374 -9.129 1.00 62.02 C ATOM 1674 C GLU A 100 1.835 12.043 -10.116 1.00 55.41 C ATOM 1675 O GLU A 100 1.582 12.109 -11.318 1.00 51.30 O ATOM 1676 CB GLU A 100 0.373 13.872 -9.109 1.00 52.22 C ATOM 1677 CG GLU A 100 1.392 14.725 -8.349 1.00 31.24 C ATOM 1678 CD GLU A 100 1.225 16.221 -8.611 1.00 35.02 C ATOM 1679 OE1 GLU A 100 0.390 16.865 -7.929 1.00 2.52 O ATOM 1680 OE2 GLU A 100 1.969 16.792 -9.439 1.00 23.14 O ATOM 0 H GLU A 100 1.073 12.528 -7.060 1.00 24.12 H new ATOM 0 HA GLU A 100 -0.161 11.852 -9.512 1.00 62.02 H new ATOM 0 HB2 GLU A 100 0.302 14.234 -10.135 1.00 52.22 H new ATOM 0 HB3 GLU A 100 -0.609 14.005 -8.656 1.00 52.22 H new ATOM 0 HG2 GLU A 100 1.293 14.535 -7.280 1.00 31.24 H new ATOM 0 HG3 GLU A 100 2.399 14.421 -8.635 1.00 31.24 H new ATOM 1687 N SER A 101 3.023 11.661 -9.652 1.00 52.52 N ATOM 1688 CA SER A 101 4.145 11.319 -10.510 1.00 72.30 C ATOM 1689 C SER A 101 4.120 9.851 -10.939 1.00 13.32 C ATOM 1690 O SER A 101 4.425 9.552 -12.095 1.00 72.12 O ATOM 1691 CB SER A 101 5.439 11.648 -9.744 1.00 32.31 C ATOM 1692 OG SER A 101 6.619 11.502 -10.514 1.00 33.05 O ATOM 0 H SER A 101 3.232 11.581 -8.657 1.00 52.52 H new ATOM 0 HA SER A 101 4.085 11.901 -11.430 1.00 72.30 H new ATOM 0 HB2 SER A 101 5.381 12.673 -9.378 1.00 32.31 H new ATOM 0 HB3 SER A 101 5.506 11.000 -8.870 1.00 32.31 H new ATOM 0 HG SER A 101 7.087 10.684 -10.244 1.00 33.05 H new ATOM 1698 N GLU A 102 3.684 8.936 -10.071 1.00 55.14 N ATOM 1699 CA GLU A 102 3.680 7.501 -10.354 1.00 63.14 C ATOM 1700 C GLU A 102 2.283 6.859 -10.454 1.00 34.13 C ATOM 1701 O GLU A 102 2.194 5.639 -10.606 1.00 23.22 O ATOM 1702 CB GLU A 102 4.592 6.823 -9.304 1.00 15.13 C ATOM 1703 CG GLU A 102 5.971 7.485 -9.085 1.00 12.31 C ATOM 1704 CD GLU A 102 6.740 7.799 -10.369 1.00 4.55 C ATOM 1705 OE1 GLU A 102 6.870 6.893 -11.222 1.00 61.42 O ATOM 1706 OE2 GLU A 102 7.240 8.945 -10.482 1.00 43.31 O ATOM 0 H GLU A 102 3.322 9.172 -9.147 1.00 55.14 H new ATOM 0 HA GLU A 102 4.072 7.344 -11.359 1.00 63.14 H new ATOM 0 HB2 GLU A 102 4.064 6.803 -8.351 1.00 15.13 H new ATOM 0 HB3 GLU A 102 4.751 5.787 -9.603 1.00 15.13 H new ATOM 0 HG2 GLU A 102 5.830 8.410 -8.526 1.00 12.31 H new ATOM 0 HG3 GLU A 102 6.580 6.828 -8.464 1.00 12.31 H new ATOM 1713 N LYS A 103 1.207 7.655 -10.399 1.00 73.13 N ATOM 1714 CA LYS A 103 -0.209 7.240 -10.468 1.00 73.00 C ATOM 1715 C LYS A 103 -0.532 6.221 -11.565 1.00 52.21 C ATOM 1716 O LYS A 103 -0.143 6.405 -12.717 1.00 15.23 O ATOM 1717 CB LYS A 103 -1.122 8.467 -10.675 1.00 54.30 C ATOM 1718 CG LYS A 103 -0.597 9.465 -11.726 1.00 1.33 C ATOM 1719 CD LYS A 103 -1.658 10.419 -12.285 1.00 64.31 C ATOM 1720 CE LYS A 103 -2.061 11.453 -11.241 1.00 24.12 C ATOM 1721 NZ LYS A 103 -3.119 12.364 -11.707 1.00 55.23 N ATOM 0 H LYS A 103 1.302 8.666 -10.299 1.00 73.13 H new ATOM 0 HA LYS A 103 -0.395 6.751 -9.512 1.00 73.00 H new ATOM 0 HB2 LYS A 103 -2.112 8.124 -10.976 1.00 54.30 H new ATOM 0 HB3 LYS A 103 -1.240 8.985 -9.723 1.00 54.30 H new ATOM 0 HG2 LYS A 103 0.204 10.054 -11.280 1.00 1.33 H new ATOM 0 HG3 LYS A 103 -0.159 8.905 -12.552 1.00 1.33 H new ATOM 0 HD2 LYS A 103 -1.270 10.922 -13.171 1.00 64.31 H new ATOM 0 HD3 LYS A 103 -2.534 9.852 -12.599 1.00 64.31 H new ATOM 0 HE2 LYS A 103 -2.403 10.939 -10.343 1.00 24.12 H new ATOM 0 HE3 LYS A 103 -1.185 12.037 -10.960 1.00 24.12 H new ATOM 0 HZ1 LYS A 103 -3.349 13.043 -10.954 1.00 55.23 H new ATOM 0 HZ2 LYS A 103 -2.788 12.879 -12.548 1.00 55.23 H new ATOM 0 HZ3 LYS A 103 -3.968 11.815 -11.949 1.00 55.23 H new ATOM 1735 N ASP A 104 -1.312 5.196 -11.207 1.00 20.23 N ATOM 1736 CA ASP A 104 -1.739 4.169 -12.151 1.00 40.11 C ATOM 1737 C ASP A 104 -2.989 4.641 -12.889 1.00 64.24 C ATOM 1738 O ASP A 104 -3.683 5.578 -12.467 1.00 14.44 O ATOM 1739 CB ASP A 104 -2.186 2.895 -11.411 1.00 62.34 C ATOM 1740 CG ASP A 104 -2.487 1.743 -12.369 1.00 62.01 C ATOM 1741 OD1 ASP A 104 -1.736 1.561 -13.347 1.00 0.44 O ATOM 1742 OD2 ASP A 104 -3.553 1.108 -12.184 1.00 60.32 O ATOM 0 H ASP A 104 -1.661 5.059 -10.259 1.00 20.23 H new ATOM 0 HA ASP A 104 -0.897 3.977 -12.816 1.00 40.11 H new ATOM 0 HB2 ASP A 104 -1.406 2.590 -10.713 1.00 62.34 H new ATOM 0 HB3 ASP A 104 -3.075 3.114 -10.819 1.00 62.34 H new ATOM 1747 N GLU A 105 -3.330 3.917 -13.951 1.00 31.21 N ATOM 1748 CA GLU A 105 -4.504 4.140 -14.759 1.00 0.54 C ATOM 1749 C GLU A 105 -5.753 3.896 -13.902 1.00 43.33 C ATOM 1750 O GLU A 105 -6.776 4.532 -14.154 1.00 33.13 O ATOM 1751 CB GLU A 105 -4.460 3.239 -16.006 1.00 1.53 C ATOM 1752 CG GLU A 105 -4.564 1.743 -15.666 1.00 23.15 C ATOM 1753 CD GLU A 105 -4.238 0.828 -16.843 1.00 32.32 C ATOM 1754 OE1 GLU A 105 -5.006 0.824 -17.830 1.00 74.31 O ATOM 1755 OE2 GLU A 105 -3.291 0.012 -16.760 1.00 54.41 O ATOM 0 H GLU A 105 -2.768 3.131 -14.277 1.00 31.21 H new ATOM 0 HA GLU A 105 -4.537 5.171 -15.113 1.00 0.54 H new ATOM 0 HB2 GLU A 105 -5.276 3.512 -16.675 1.00 1.53 H new ATOM 0 HB3 GLU A 105 -3.531 3.420 -16.547 1.00 1.53 H new ATOM 0 HG2 GLU A 105 -3.887 1.518 -14.842 1.00 23.15 H new ATOM 0 HG3 GLU A 105 -5.574 1.527 -15.317 1.00 23.15 H new ATOM 1762 N ASP A 106 -5.706 3.021 -12.882 1.00 72.03 N ATOM 1763 CA ASP A 106 -6.889 2.794 -12.037 1.00 34.42 C ATOM 1764 C ASP A 106 -7.037 3.978 -11.087 1.00 34.11 C ATOM 1765 O ASP A 106 -8.150 4.331 -10.696 1.00 12.32 O ATOM 1766 CB ASP A 106 -6.745 1.582 -11.099 1.00 32.34 C ATOM 1767 CG ASP A 106 -7.100 0.223 -11.686 1.00 0.12 C ATOM 1768 OD1 ASP A 106 -6.792 -0.037 -12.862 1.00 53.34 O ATOM 1769 OD2 ASP A 106 -7.574 -0.648 -10.915 1.00 22.30 O ATOM 0 H ASP A 106 -4.884 2.473 -12.628 1.00 72.03 H new ATOM 0 HA ASP A 106 -7.723 2.645 -12.723 1.00 34.42 H new ATOM 0 HB2 ASP A 106 -5.714 1.543 -10.748 1.00 32.34 H new ATOM 0 HB3 ASP A 106 -7.374 1.751 -10.225 1.00 32.34 H new ATOM 1774 N GLY A 107 -5.901 4.571 -10.706 1.00 75.01 N ATOM 1775 CA GLY A 107 -5.786 5.691 -9.786 1.00 14.22 C ATOM 1776 C GLY A 107 -5.051 5.296 -8.509 1.00 53.31 C ATOM 1777 O GLY A 107 -4.695 6.176 -7.725 1.00 75.21 O ATOM 0 H GLY A 107 -4.993 4.261 -11.053 1.00 75.01 H new ATOM 0 HA2 GLY A 107 -5.256 6.510 -10.273 1.00 14.22 H new ATOM 0 HA3 GLY A 107 -6.780 6.060 -9.535 1.00 14.22 H new ATOM 1781 N PHE A 108 -4.858 4.001 -8.252 1.00 35.44 N ATOM 1782 CA PHE A 108 -4.127 3.517 -7.085 1.00 42.44 C ATOM 1783 C PHE A 108 -2.634 3.730 -7.352 1.00 3.14 C ATOM 1784 O PHE A 108 -2.226 3.922 -8.497 1.00 24.32 O ATOM 1785 CB PHE A 108 -4.368 2.014 -6.879 1.00 24.34 C ATOM 1786 CG PHE A 108 -5.681 1.642 -6.228 1.00 60.20 C ATOM 1787 CD1 PHE A 108 -5.792 1.673 -4.827 1.00 51.34 C ATOM 1788 CD2 PHE A 108 -6.775 1.222 -7.005 1.00 71.11 C ATOM 1789 CE1 PHE A 108 -7.003 1.323 -4.210 1.00 14.11 C ATOM 1790 CE2 PHE A 108 -7.978 0.850 -6.382 1.00 12.52 C ATOM 1791 CZ PHE A 108 -8.105 0.920 -4.984 1.00 54.50 C ATOM 0 H PHE A 108 -5.208 3.255 -8.854 1.00 35.44 H new ATOM 0 HA PHE A 108 -4.462 4.054 -6.197 1.00 42.44 H new ATOM 0 HB2 PHE A 108 -4.312 1.520 -7.849 1.00 24.34 H new ATOM 0 HB3 PHE A 108 -3.556 1.615 -6.271 1.00 24.34 H new ATOM 0 HD1 PHE A 108 -4.945 1.966 -4.225 1.00 51.34 H new ATOM 0 HD2 PHE A 108 -6.690 1.185 -8.081 1.00 71.11 H new ATOM 0 HE1 PHE A 108 -7.089 1.364 -3.134 1.00 14.11 H new ATOM 0 HE2 PHE A 108 -8.810 0.508 -6.980 1.00 12.52 H new ATOM 0 HZ PHE A 108 -9.041 0.666 -4.509 1.00 54.50 H new ATOM 1801 N LEU A 109 -1.824 3.731 -6.295 1.00 35.14 N ATOM 1802 CA LEU A 109 -0.375 3.878 -6.390 1.00 40.50 C ATOM 1803 C LEU A 109 0.227 2.498 -6.098 1.00 42.53 C ATOM 1804 O LEU A 109 -0.139 1.901 -5.086 1.00 73.31 O ATOM 1805 CB LEU A 109 0.060 4.995 -5.426 1.00 22.01 C ATOM 1806 CG LEU A 109 1.371 5.737 -5.752 1.00 20.34 C ATOM 1807 CD1 LEU A 109 2.626 4.882 -5.580 1.00 14.31 C ATOM 1808 CD2 LEU A 109 1.354 6.362 -7.148 1.00 1.51 C ATOM 0 H LEU A 109 -2.161 3.628 -5.338 1.00 35.14 H new ATOM 0 HA LEU A 109 -0.021 4.184 -7.374 1.00 40.50 H new ATOM 0 HB2 LEU A 109 -0.742 5.732 -5.379 1.00 22.01 H new ATOM 0 HB3 LEU A 109 0.155 4.563 -4.430 1.00 22.01 H new ATOM 0 HG LEU A 109 1.422 6.534 -5.010 1.00 20.34 H new ATOM 0 HD11 LEU A 109 3.507 5.474 -5.828 1.00 14.31 H new ATOM 0 HD12 LEU A 109 2.696 4.543 -4.547 1.00 14.31 H new ATOM 0 HD13 LEU A 109 2.571 4.018 -6.243 1.00 14.31 H new ATOM 0 HD21 LEU A 109 2.300 6.873 -7.329 1.00 1.51 H new ATOM 0 HD22 LEU A 109 1.215 5.580 -7.895 1.00 1.51 H new ATOM 0 HD23 LEU A 109 0.536 7.079 -7.216 1.00 1.51 H new ATOM 1820 N TYR A 110 1.101 1.960 -6.945 1.00 53.35 N ATOM 1821 CA TYR A 110 1.728 0.653 -6.761 1.00 14.30 C ATOM 1822 C TYR A 110 3.136 0.801 -6.182 1.00 11.50 C ATOM 1823 O TYR A 110 3.972 1.507 -6.746 1.00 11.44 O ATOM 1824 CB TYR A 110 1.834 -0.072 -8.112 1.00 52.31 C ATOM 1825 CG TYR A 110 0.590 -0.797 -8.590 1.00 52.31 C ATOM 1826 CD1 TYR A 110 0.176 -1.968 -7.925 1.00 0.41 C ATOM 1827 CD2 TYR A 110 -0.044 -0.416 -9.791 1.00 0.52 C ATOM 1828 CE1 TYR A 110 -0.842 -2.768 -8.468 1.00 55.13 C ATOM 1829 CE2 TYR A 110 -1.056 -1.222 -10.347 1.00 31.31 C ATOM 1830 CZ TYR A 110 -1.453 -2.412 -9.691 1.00 55.12 C ATOM 1831 OH TYR A 110 -2.405 -3.231 -10.206 1.00 40.13 O ATOM 0 H TYR A 110 1.400 2.432 -7.799 1.00 53.35 H new ATOM 0 HA TYR A 110 1.110 0.080 -6.070 1.00 14.30 H new ATOM 0 HB2 TYR A 110 2.116 0.659 -8.870 1.00 52.31 H new ATOM 0 HB3 TYR A 110 2.647 -0.795 -8.048 1.00 52.31 H new ATOM 0 HD1 TYR A 110 0.644 -2.251 -6.994 1.00 0.41 H new ATOM 0 HD2 TYR A 110 0.248 0.498 -10.286 1.00 0.52 H new ATOM 0 HE1 TYR A 110 -1.160 -3.660 -7.948 1.00 55.13 H new ATOM 0 HE2 TYR A 110 -1.529 -0.932 -11.274 1.00 31.31 H new ATOM 0 HH TYR A 110 -2.736 -2.858 -11.049 1.00 40.13 H new ATOM 1841 N MET A 111 3.447 0.079 -5.106 1.00 35.31 N ATOM 1842 CA MET A 111 4.748 0.079 -4.440 1.00 64.04 C ATOM 1843 C MET A 111 5.113 -1.349 -4.042 1.00 14.32 C ATOM 1844 O MET A 111 4.298 -2.062 -3.447 1.00 63.14 O ATOM 1845 CB MET A 111 4.765 0.968 -3.191 1.00 2.40 C ATOM 1846 CG MET A 111 4.480 2.433 -3.516 1.00 12.42 C ATOM 1847 SD MET A 111 4.897 3.636 -2.220 1.00 44.55 S ATOM 1848 CE MET A 111 4.287 2.833 -0.715 1.00 1.52 C ATOM 0 H MET A 111 2.775 -0.544 -4.658 1.00 35.31 H new ATOM 0 HA MET A 111 5.475 0.483 -5.144 1.00 64.04 H new ATOM 0 HB2 MET A 111 4.023 0.605 -2.480 1.00 2.40 H new ATOM 0 HB3 MET A 111 5.737 0.889 -2.705 1.00 2.40 H new ATOM 0 HG2 MET A 111 5.030 2.697 -4.419 1.00 12.42 H new ATOM 0 HG3 MET A 111 3.420 2.533 -3.748 1.00 12.42 H new ATOM 0 HE1 MET A 111 3.953 3.592 -0.008 1.00 1.52 H new ATOM 0 HE2 MET A 111 3.453 2.177 -0.965 1.00 1.52 H new ATOM 0 HE3 MET A 111 5.088 2.246 -0.266 1.00 1.52 H new ATOM 1858 N VAL A 112 6.350 -1.773 -4.288 1.00 72.03 N ATOM 1859 CA VAL A 112 6.832 -3.112 -3.939 1.00 1.12 C ATOM 1860 C VAL A 112 7.998 -2.945 -2.962 1.00 20.21 C ATOM 1861 O VAL A 112 8.619 -1.887 -2.932 1.00 63.43 O ATOM 1862 CB VAL A 112 7.241 -3.913 -5.199 1.00 11.43 C ATOM 1863 CG1 VAL A 112 7.556 -5.368 -4.882 1.00 32.21 C ATOM 1864 CG2 VAL A 112 6.185 -3.900 -6.315 1.00 53.33 C ATOM 0 H VAL A 112 7.056 -1.192 -4.740 1.00 72.03 H new ATOM 0 HA VAL A 112 6.037 -3.689 -3.467 1.00 1.12 H new ATOM 0 HB VAL A 112 8.134 -3.397 -5.554 1.00 11.43 H new ATOM 0 HG11 VAL A 112 7.837 -5.887 -5.798 1.00 32.21 H new ATOM 0 HG12 VAL A 112 8.380 -5.415 -4.170 1.00 32.21 H new ATOM 0 HG13 VAL A 112 6.676 -5.845 -4.450 1.00 32.21 H new ATOM 0 HG21 VAL A 112 6.545 -4.482 -7.163 1.00 53.33 H new ATOM 0 HG22 VAL A 112 5.257 -4.335 -5.943 1.00 53.33 H new ATOM 0 HG23 VAL A 112 6.002 -2.873 -6.631 1.00 53.33 H new ATOM 1874 N TYR A 113 8.293 -3.937 -2.126 1.00 35.24 N ATOM 1875 CA TYR A 113 9.400 -3.885 -1.184 1.00 35.01 C ATOM 1876 C TYR A 113 10.194 -5.186 -1.236 1.00 12.24 C ATOM 1877 O TYR A 113 9.614 -6.257 -1.452 1.00 32.21 O ATOM 1878 CB TYR A 113 8.896 -3.584 0.233 1.00 73.24 C ATOM 1879 CG TYR A 113 8.174 -4.708 0.959 1.00 20.04 C ATOM 1880 CD1 TYR A 113 8.904 -5.683 1.669 1.00 44.24 C ATOM 1881 CD2 TYR A 113 6.770 -4.767 0.950 1.00 52.12 C ATOM 1882 CE1 TYR A 113 8.235 -6.681 2.398 1.00 64.03 C ATOM 1883 CE2 TYR A 113 6.096 -5.795 1.631 1.00 63.34 C ATOM 1884 CZ TYR A 113 6.825 -6.754 2.369 1.00 54.15 C ATOM 1885 OH TYR A 113 6.150 -7.715 3.058 1.00 43.33 O ATOM 0 H TYR A 113 7.763 -4.807 -2.086 1.00 35.24 H new ATOM 0 HA TYR A 113 10.068 -3.072 -1.468 1.00 35.01 H new ATOM 0 HB2 TYR A 113 9.750 -3.281 0.840 1.00 73.24 H new ATOM 0 HB3 TYR A 113 8.224 -2.728 0.179 1.00 73.24 H new ATOM 0 HD1 TYR A 113 9.984 -5.663 1.653 1.00 44.24 H new ATOM 0 HD2 TYR A 113 6.205 -4.017 0.416 1.00 52.12 H new ATOM 0 HE1 TYR A 113 8.800 -7.393 2.981 1.00 64.03 H new ATOM 0 HE2 TYR A 113 5.018 -5.852 1.590 1.00 63.34 H new ATOM 0 HH TYR A 113 6.790 -8.298 3.517 1.00 43.33 H new ATOM 1895 N ALA A 114 11.506 -5.079 -1.007 1.00 35.44 N ATOM 1896 CA ALA A 114 12.439 -6.211 -0.981 1.00 52.45 C ATOM 1897 C ALA A 114 13.748 -5.832 -0.278 1.00 72.31 C ATOM 1898 O ALA A 114 13.997 -4.652 -0.013 1.00 3.13 O ATOM 1899 CB ALA A 114 12.777 -6.630 -2.416 1.00 63.05 C ATOM 0 H ALA A 114 11.960 -4.183 -0.830 1.00 35.44 H new ATOM 0 HA ALA A 114 11.960 -7.026 -0.439 1.00 52.45 H new ATOM 0 HB1 ALA A 114 13.470 -7.471 -2.396 1.00 63.05 H new ATOM 0 HB2 ALA A 114 11.864 -6.925 -2.934 1.00 63.05 H new ATOM 0 HB3 ALA A 114 13.237 -5.793 -2.941 1.00 63.05 H new ATOM 1905 N SER A 115 14.593 -6.821 0.027 1.00 55.15 N ATOM 1906 CA SER A 115 15.881 -6.596 0.659 1.00 71.23 C ATOM 1907 C SER A 115 16.892 -6.605 -0.498 1.00 1.24 C ATOM 1908 O SER A 115 17.696 -7.528 -0.632 1.00 35.31 O ATOM 1909 CB SER A 115 16.092 -7.723 1.696 1.00 50.44 C ATOM 1910 OG SER A 115 17.087 -7.430 2.651 1.00 34.11 O ATOM 0 H SER A 115 14.395 -7.804 -0.162 1.00 55.15 H new ATOM 0 HA SER A 115 15.978 -5.658 1.205 1.00 71.23 H new ATOM 0 HB2 SER A 115 15.150 -7.913 2.211 1.00 50.44 H new ATOM 0 HB3 SER A 115 16.360 -8.641 1.173 1.00 50.44 H new ATOM 0 HG SER A 115 16.965 -6.515 2.980 1.00 34.11 H new ATOM 1916 N GLN A 116 16.924 -5.509 -1.266 1.00 20.00 N ATOM 1917 CA GLN A 116 17.784 -5.288 -2.429 1.00 23.34 C ATOM 1918 C GLN A 116 17.498 -3.869 -2.935 1.00 4.51 C ATOM 1919 O GLN A 116 16.334 -3.453 -2.951 1.00 24.42 O ATOM 1920 CB GLN A 116 17.452 -6.319 -3.535 1.00 3.23 C ATOM 1921 CG GLN A 116 18.704 -6.956 -4.142 1.00 52.33 C ATOM 1922 CD GLN A 116 18.317 -8.009 -5.176 1.00 35.30 C ATOM 1923 OE1 GLN A 116 17.971 -9.138 -4.842 1.00 4.13 O ATOM 1924 NE2 GLN A 116 18.300 -7.670 -6.449 1.00 75.12 N ATOM 0 H GLN A 116 16.317 -4.711 -1.080 1.00 20.00 H new ATOM 0 HA GLN A 116 18.835 -5.403 -2.164 1.00 23.34 H new ATOM 0 HB2 GLN A 116 16.817 -7.101 -3.119 1.00 3.23 H new ATOM 0 HB3 GLN A 116 16.880 -5.829 -4.323 1.00 3.23 H new ATOM 0 HG2 GLN A 116 19.321 -6.188 -4.609 1.00 52.33 H new ATOM 0 HG3 GLN A 116 19.305 -7.413 -3.356 1.00 52.33 H new ATOM 0 HE21 GLN A 116 18.587 -6.733 -6.731 1.00 75.12 H new ATOM 0 HE22 GLN A 116 18.000 -8.345 -7.153 1.00 75.12 H new ATOM 1933 N GLU A 117 18.520 -3.127 -3.356 1.00 41.44 N ATOM 1934 CA GLU A 117 18.395 -1.753 -3.854 1.00 75.11 C ATOM 1935 C GLU A 117 17.804 -1.719 -5.264 1.00 4.20 C ATOM 1936 O GLU A 117 16.952 -0.886 -5.571 1.00 4.13 O ATOM 1937 CB GLU A 117 19.787 -1.116 -3.848 1.00 51.54 C ATOM 1938 CG GLU A 117 19.774 0.381 -4.172 1.00 15.54 C ATOM 1939 CD GLU A 117 21.169 1.012 -4.100 1.00 42.35 C ATOM 1940 OE1 GLU A 117 22.044 0.541 -3.329 1.00 12.14 O ATOM 1941 OE2 GLU A 117 21.372 2.050 -4.767 1.00 53.52 O ATOM 0 H GLU A 117 19.481 -3.469 -3.362 1.00 41.44 H new ATOM 0 HA GLU A 117 17.716 -1.196 -3.208 1.00 75.11 H new ATOM 0 HB2 GLU A 117 20.242 -1.264 -2.868 1.00 51.54 H new ATOM 0 HB3 GLU A 117 20.417 -1.631 -4.573 1.00 51.54 H new ATOM 0 HG2 GLU A 117 19.363 0.529 -5.171 1.00 15.54 H new ATOM 0 HG3 GLU A 117 19.111 0.894 -3.475 1.00 15.54 H new ATOM 1948 N THR A 118 18.252 -2.638 -6.109 1.00 32.01 N ATOM 1949 CA THR A 118 17.835 -2.797 -7.491 1.00 72.25 C ATOM 1950 C THR A 118 17.672 -4.299 -7.716 1.00 73.35 C ATOM 1951 O THR A 118 18.582 -5.047 -7.334 1.00 72.32 O ATOM 1952 CB THR A 118 18.875 -2.135 -8.424 1.00 63.24 C ATOM 1953 OG1 THR A 118 20.212 -2.293 -7.959 1.00 61.22 O ATOM 1954 CG2 THR A 118 18.646 -0.624 -8.530 1.00 52.33 C ATOM 0 H THR A 118 18.952 -3.327 -5.832 1.00 32.01 H new ATOM 0 HA THR A 118 16.889 -2.303 -7.714 1.00 72.25 H new ATOM 0 HB THR A 118 18.745 -2.634 -9.384 1.00 63.24 H new ATOM 0 HG1 THR A 118 20.829 -1.859 -8.584 1.00 61.22 H new ATOM 0 HG21 THR A 118 19.393 -0.188 -9.193 1.00 52.33 H new ATOM 0 HG22 THR A 118 17.650 -0.434 -8.931 1.00 52.33 H new ATOM 0 HG23 THR A 118 18.731 -0.173 -7.541 1.00 52.33 H new ATOM 1962 N PHE A 119 16.540 -4.725 -8.286 1.00 62.23 N ATOM 1963 CA PHE A 119 16.205 -6.117 -8.565 1.00 2.22 C ATOM 1964 C PHE A 119 17.227 -6.766 -9.484 1.00 43.52 C ATOM 1965 O PHE A 119 17.706 -6.078 -10.409 1.00 62.21 O ATOM 1966 CB PHE A 119 14.793 -6.209 -9.163 1.00 60.45 C ATOM 1967 CG PHE A 119 13.650 -5.768 -8.266 1.00 14.53 C ATOM 1968 CD1 PHE A 119 13.605 -6.148 -6.911 1.00 24.11 C ATOM 1969 CD2 PHE A 119 12.589 -5.013 -8.800 1.00 42.24 C ATOM 1970 CE1 PHE A 119 12.516 -5.778 -6.106 1.00 53.24 C ATOM 1971 CE2 PHE A 119 11.482 -4.679 -8.004 1.00 1.42 C ATOM 1972 CZ PHE A 119 11.440 -5.065 -6.655 1.00 31.24 C ATOM 0 H PHE A 119 15.805 -4.080 -8.576 1.00 62.23 H new ATOM 0 HA PHE A 119 16.225 -6.665 -7.623 1.00 2.22 H new ATOM 0 HB2 PHE A 119 14.767 -5.607 -10.071 1.00 60.45 H new ATOM 0 HB3 PHE A 119 14.615 -7.242 -9.461 1.00 60.45 H new ATOM 0 HD1 PHE A 119 14.413 -6.727 -6.489 1.00 24.11 H new ATOM 0 HD2 PHE A 119 12.627 -4.688 -9.829 1.00 42.24 H new ATOM 0 HE1 PHE A 119 12.507 -6.044 -5.059 1.00 53.24 H new ATOM 0 HE2 PHE A 119 10.660 -4.123 -8.431 1.00 1.42 H new ATOM 0 HZ PHE A 119 10.585 -4.815 -6.044 1.00 31.24 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -17.211 -13.850 2.583 1.00 52.45 N ATOM 1984 CA ASN B 169 -18.671 -13.815 2.783 1.00 41.35 C ATOM 1985 C ASN B 169 -19.146 -14.779 3.875 1.00 74.15 C ATOM 1986 O ASN B 169 -20.262 -15.296 3.797 1.00 73.13 O ATOM 1987 CB ASN B 169 -19.385 -14.032 1.447 1.00 25.31 C ATOM 1988 CG ASN B 169 -20.866 -13.659 1.467 1.00 4.11 C ATOM 1989 OD1 ASN B 169 -21.285 -12.678 2.260 1.00 23.42 O flip ATOM 1990 ND2 ASN B 169 -21.647 -14.223 0.701 1.00 63.32 N flip ATOM 0 HA ASN B 169 -18.938 -12.825 3.152 1.00 41.35 H new ATOM 0 HB2 ASN B 169 -18.883 -13.444 0.679 1.00 25.31 H new ATOM 0 HB3 ASN B 169 -19.288 -15.079 1.161 1.00 25.31 H new ATOM 0 HD21 ASN B 169 -21.315 -14.975 0.097 1.00 63.32 H new ATOM 0 HD22 ASN B 169 -22.626 -13.939 0.671 1.00 63.32 H new HETATM 1997 N SEP B 170 -18.304 -15.074 4.866 1.00 4.31 N HETATM 1998 CA SEP B 170 -18.602 -15.988 5.957 1.00 74.43 C HETATM 1999 CB SEP B 170 -17.832 -17.296 5.706 1.00 23.53 C HETATM 2000 OG SEP B 170 -18.332 -17.949 4.538 1.00 11.02 O HETATM 2001 C SEP B 170 -18.308 -15.318 7.305 1.00 33.41 C HETATM 2002 O SEP B 170 -19.241 -14.974 8.032 1.00 70.54 O HETATM 2003 P SEP B 170 -17.493 -18.148 3.181 1.00 24.23 P HETATM 2004 O1P SEP B 170 -18.391 -19.026 2.403 1.00 2.02 O HETATM 2005 O2P SEP B 170 -17.308 -16.790 2.621 1.00 33.34 O HETATM 2006 O3P SEP B 170 -16.240 -18.811 3.598 1.00 63.34 O HETATM 0 HB3 SEP B 170 -16.770 -17.083 5.585 1.00 23.53 H new HETATM 0 HB2 SEP B 170 -17.929 -17.955 6.569 1.00 23.53 H new HETATM 0 HA SEP B 170 -19.661 -16.242 5.998 1.00 74.43 H new HETATM 2011 N SEP B 171 -17.042 -15.043 7.624 1.00 34.32 N HETATM 2012 CA SEP B 171 -16.669 -14.400 8.879 1.00 65.53 C HETATM 2013 CB SEP B 171 -15.141 -14.399 9.039 1.00 11.33 C HETATM 2014 OG SEP B 171 -14.618 -15.665 9.438 1.00 74.11 O HETATM 2015 C SEP B 171 -17.234 -12.972 8.929 1.00 65.24 C HETATM 2016 O SEP B 171 -17.350 -12.287 7.906 1.00 74.23 O HETATM 2017 P SEP B 171 -14.497 -16.945 8.473 1.00 5.33 P HETATM 2018 O1P SEP B 171 -15.679 -17.754 8.844 1.00 2.02 O HETATM 2019 O2P SEP B 171 -14.548 -16.390 7.108 1.00 52.44 O HETATM 2020 O3P SEP B 171 -13.192 -17.506 8.875 1.00 5.04 O HETATM 0 HB3 SEP B 171 -14.683 -14.105 8.094 1.00 11.33 H new HETATM 0 HB2 SEP B 171 -14.860 -13.648 9.777 1.00 11.33 H new HETATM 0 HA SEP B 171 -17.095 -14.962 9.710 1.00 65.53 H new HETATM 0 H SEP B 171 -16.320 -15.410 7.005 1.00 34.32 H new ATOM 2025 N GLY B 172 -17.673 -12.549 10.113 1.00 14.31 N ATOM 2026 CA GLY B 172 -18.231 -11.226 10.335 1.00 54.04 C ATOM 2027 C GLY B 172 -17.096 -10.250 10.579 1.00 41.44 C ATOM 2028 O GLY B 172 -16.348 -10.434 11.542 1.00 54.03 O ATOM 0 H GLY B 172 -17.649 -13.127 10.953 1.00 14.31 H new ATOM 0 HA2 GLY B 172 -18.817 -10.914 9.471 1.00 54.04 H new ATOM 0 HA3 GLY B 172 -18.907 -11.240 11.190 1.00 54.04 H new HETATM 2032 N SEP B 173 -16.957 -9.244 9.725 1.00 73.24 N HETATM 2033 CA SEP B 173 -15.936 -8.211 9.822 1.00 13.22 C HETATM 2034 CB SEP B 173 -14.744 -8.555 8.923 1.00 54.04 C HETATM 2035 OG SEP B 173 -14.193 -9.803 9.301 1.00 32.32 O HETATM 2036 C SEP B 173 -16.558 -6.880 9.413 1.00 43.44 C HETATM 2037 O SEP B 173 -17.757 -6.835 9.115 1.00 30.41 O HETATM 2038 P SEP B 173 -12.618 -10.040 9.284 1.00 72.25 P HETATM 2039 O1P SEP B 173 -12.473 -11.437 9.737 1.00 21.42 O HETATM 2040 O2P SEP B 173 -12.242 -9.823 7.870 1.00 13.31 O HETATM 2041 O3P SEP B 173 -12.105 -9.032 10.235 1.00 43.22 O HETATM 0 HB3 SEP B 173 -15.063 -8.590 7.881 1.00 54.04 H new HETATM 0 HB2 SEP B 173 -13.985 -7.776 8.998 1.00 54.04 H new HETATM 0 HA SEP B 173 -15.568 -8.143 10.846 1.00 13.22 H new HETATM 2046 N SEP B 174 -15.843 -5.784 9.659 1.00 54.13 N HETATM 2047 CA SEP B 174 -16.304 -4.455 9.299 1.00 72.51 C HETATM 2048 CB SEP B 174 -15.733 -3.437 10.294 1.00 52.03 C HETATM 2049 OG SEP B 174 -16.739 -2.474 10.539 1.00 42.42 O HETATM 2050 C SEP B 174 -15.833 -4.206 7.867 1.00 63.33 C HETATM 2051 O SEP B 174 -15.568 -5.157 7.114 1.00 12.22 O HETATM 2052 P SEP B 174 -16.546 -1.319 11.621 1.00 24.42 P HETATM 2053 O1P SEP B 174 -16.322 -2.098 12.849 1.00 32.34 O HETATM 2054 O2P SEP B 174 -15.374 -0.573 11.119 1.00 30.51 O HETATM 2055 O3P SEP B 174 -17.843 -0.620 11.555 1.00 42.34 O HETATM 0 HB3 SEP B 174 -15.440 -3.930 11.221 1.00 52.03 H new HETATM 0 HB2 SEP B 174 -14.839 -2.963 9.888 1.00 52.03 H new HETATM 0 HA SEP B 174 -17.389 -4.359 9.343 1.00 72.51 H new HETATM 0 H SEP B 174 -15.235 -5.911 10.468 1.00 54.13 H new ATOM 2060 N GLU B 175 -15.786 -2.946 7.434 1.00 4.33 N ATOM 2061 CA GLU B 175 -15.315 -2.586 6.105 1.00 20.43 C ATOM 2062 C GLU B 175 -13.776 -2.623 6.207 1.00 12.33 C ATOM 2063 O GLU B 175 -13.077 -1.619 6.071 1.00 33.45 O ATOM 2064 CB GLU B 175 -15.909 -1.216 5.734 1.00 64.13 C ATOM 2065 CG GLU B 175 -15.834 -0.960 4.226 1.00 3.01 C ATOM 2066 CD GLU B 175 -16.315 0.448 3.878 1.00 0.11 C ATOM 2067 OE1 GLU B 175 -17.543 0.665 3.740 1.00 33.14 O ATOM 2068 OE2 GLU B 175 -15.448 1.326 3.667 1.00 51.31 O ATOM 0 H GLU B 175 -16.075 -2.148 7.999 1.00 4.33 H new ATOM 0 HA GLU B 175 -15.627 -3.257 5.305 1.00 20.43 H new ATOM 0 HB2 GLU B 175 -16.948 -1.168 6.061 1.00 64.13 H new ATOM 0 HB3 GLU B 175 -15.372 -0.430 6.264 1.00 64.13 H new ATOM 0 HG2 GLU B 175 -14.808 -1.091 3.883 1.00 3.01 H new ATOM 0 HG3 GLU B 175 -16.442 -1.695 3.699 1.00 3.01 H new ATOM 2075 N ASP B 176 -13.233 -3.807 6.483 1.00 23.54 N ATOM 2076 CA ASP B 176 -11.825 -4.119 6.662 1.00 61.13 C ATOM 2077 C ASP B 176 -11.181 -4.285 5.296 1.00 50.31 C ATOM 2078 O ASP B 176 -10.945 -5.413 4.847 1.00 13.12 O ATOM 2079 CB ASP B 176 -11.672 -5.390 7.521 1.00 4.01 C ATOM 2080 CG ASP B 176 -11.816 -5.080 9.005 1.00 65.12 C ATOM 2081 OD1 ASP B 176 -10.841 -4.528 9.569 1.00 34.20 O ATOM 2082 OD2 ASP B 176 -12.888 -5.377 9.586 1.00 52.45 O ATOM 0 H ASP B 176 -13.817 -4.636 6.595 1.00 23.54 H new ATOM 0 HA ASP B 176 -11.322 -3.307 7.187 1.00 61.13 H new ATOM 0 HB2 ASP B 176 -12.424 -6.122 7.226 1.00 4.01 H new ATOM 0 HB3 ASP B 176 -10.697 -5.841 7.335 1.00 4.01 H new HETATM 2087 N SEP B 177 -10.854 -3.169 4.647 1.00 63.41 N HETATM 2088 CA SEP B 177 -10.240 -3.171 3.328 1.00 43.23 C HETATM 2089 CB SEP B 177 -11.305 -2.892 2.276 1.00 22.42 C HETATM 2090 OG SEP B 177 -12.209 -3.990 2.285 1.00 3.43 O HETATM 2091 C SEP B 177 -9.094 -2.189 3.160 1.00 44.22 C HETATM 2092 O SEP B 177 -8.240 -2.464 2.316 1.00 31.24 O HETATM 2093 P SEP B 177 -13.250 -4.239 1.115 1.00 20.20 P HETATM 2094 O1P SEP B 177 -14.316 -3.242 1.316 1.00 2.13 O HETATM 2095 O2P SEP B 177 -12.436 -4.120 -0.116 1.00 40.21 O HETATM 2096 O3P SEP B 177 -13.699 -5.626 1.326 1.00 60.41 O HETATM 0 HB3 SEP B 177 -11.829 -1.962 2.497 1.00 22.42 H new HETATM 0 HB2 SEP B 177 -10.851 -2.776 1.292 1.00 22.42 H new HETATM 0 HA SEP B 177 -9.803 -4.162 3.203 1.00 43.23 H new ATOM 2101 N PHE B 178 -8.949 -1.189 4.029 1.00 32.22 N ATOM 2102 CA PHE B 178 -7.891 -0.203 3.933 1.00 61.32 C ATOM 2103 C PHE B 178 -7.227 -0.006 5.297 1.00 53.12 C ATOM 2104 O PHE B 178 -7.930 0.216 6.280 1.00 71.21 O ATOM 2105 CB PHE B 178 -8.490 1.115 3.371 1.00 2.33 C ATOM 2106 CG PHE B 178 -8.639 1.131 1.853 1.00 60.51 C ATOM 2107 CD1 PHE B 178 -9.765 0.512 1.290 1.00 24.35 C ATOM 2108 CD2 PHE B 178 -7.691 1.730 0.983 1.00 54.12 C ATOM 2109 CE1 PHE B 178 -9.860 0.392 -0.100 1.00 32.25 C ATOM 2110 CE2 PHE B 178 -7.812 1.613 -0.412 1.00 71.20 C ATOM 2111 CZ PHE B 178 -8.854 0.860 -0.941 1.00 72.34 C ATOM 0 H PHE B 178 -9.572 -1.046 4.824 1.00 32.22 H new ATOM 0 HA PHE B 178 -7.111 -0.543 3.251 1.00 61.32 H new ATOM 0 HB2 PHE B 178 -9.468 1.280 3.824 1.00 2.33 H new ATOM 0 HB3 PHE B 178 -7.855 1.948 3.672 1.00 2.33 H new ATOM 0 HD1 PHE B 178 -10.552 0.131 1.925 1.00 24.35 H new ATOM 0 HD2 PHE B 178 -6.863 2.285 1.400 1.00 54.12 H new ATOM 0 HE1 PHE B 178 -10.734 -0.074 -0.531 1.00 32.25 H new ATOM 0 HE2 PHE B 178 -7.104 2.102 -1.065 1.00 71.20 H new ATOM 0 HZ PHE B 178 -8.883 0.639 -1.998 1.00 72.34 H new ATOM 2121 N VAL B 179 -5.886 -0.078 5.358 1.00 72.33 N ATOM 2122 CA VAL B 179 -5.138 0.123 6.594 1.00 64.52 C ATOM 2123 C VAL B 179 -4.361 1.447 6.541 1.00 11.32 C ATOM 2124 O VAL B 179 -3.348 1.614 5.859 1.00 13.32 O ATOM 2125 CB VAL B 179 -4.379 -1.148 7.024 1.00 14.03 C ATOM 2126 CG1 VAL B 179 -3.136 -1.484 6.206 1.00 54.03 C ATOM 2127 CG2 VAL B 179 -3.981 -1.030 8.503 1.00 72.14 C ATOM 0 H VAL B 179 -5.298 -0.277 4.549 1.00 72.33 H new ATOM 0 HA VAL B 179 -5.816 0.263 7.436 1.00 64.52 H new ATOM 0 HB VAL B 179 -5.077 -1.966 6.847 1.00 14.03 H new ATOM 0 HG11 VAL B 179 -2.681 -2.395 6.594 1.00 54.03 H new ATOM 0 HG12 VAL B 179 -3.416 -1.634 5.163 1.00 54.03 H new ATOM 0 HG13 VAL B 179 -2.422 -0.664 6.276 1.00 54.03 H new ATOM 0 HG21 VAL B 179 -3.444 -1.928 8.808 1.00 72.14 H new ATOM 0 HG22 VAL B 179 -3.339 -0.160 8.639 1.00 72.14 H new ATOM 0 HG23 VAL B 179 -4.877 -0.918 9.113 1.00 72.14 H new ATOM 2137 N GLU B 180 -4.871 2.445 7.255 1.00 61.13 N ATOM 2138 CA GLU B 180 -4.305 3.782 7.339 1.00 3.23 C ATOM 2139 C GLU B 180 -3.080 3.843 8.253 1.00 71.34 C ATOM 2140 O GLU B 180 -2.920 3.037 9.187 1.00 2.35 O ATOM 2141 CB GLU B 180 -5.345 4.799 7.818 1.00 14.03 C ATOM 2142 CG GLU B 180 -6.624 4.879 6.983 1.00 4.15 C ATOM 2143 CD GLU B 180 -7.735 5.524 7.780 1.00 35.13 C ATOM 2144 OE1 GLU B 180 -8.217 4.872 8.732 1.00 15.42 O ATOM 2145 OE2 GLU B 180 -7.992 6.717 7.516 1.00 75.52 O ATOM 0 H GLU B 180 -5.720 2.339 7.810 1.00 61.13 H new ATOM 0 HA GLU B 180 -3.988 4.037 6.328 1.00 3.23 H new ATOM 0 HB2 GLU B 180 -5.618 4.557 8.845 1.00 14.03 H new ATOM 0 HB3 GLU B 180 -4.881 5.785 7.835 1.00 14.03 H new ATOM 0 HG2 GLU B 180 -6.438 5.454 6.076 1.00 4.15 H new ATOM 0 HG3 GLU B 180 -6.925 3.879 6.671 1.00 4.15 H new ATOM 2152 N ILE B 181 -2.236 4.851 8.020 1.00 63.33 N ATOM 2153 CA ILE B 181 -1.030 5.072 8.804 1.00 34.15 C ATOM 2154 C ILE B 181 -1.408 5.679 10.159 1.00 51.24 C ATOM 2155 O ILE B 181 -2.410 6.376 10.315 1.00 3.12 O ATOM 2156 CB ILE B 181 -0.139 6.047 8.004 1.00 14.05 C ATOM 2157 CG1 ILE B 181 0.662 5.194 7.008 1.00 61.11 C ATOM 2158 CG2 ILE B 181 0.721 7.009 8.854 1.00 32.31 C ATOM 2159 CD1 ILE B 181 1.631 6.054 6.222 1.00 35.51 C ATOM 0 H ILE B 181 -2.375 5.537 7.278 1.00 63.33 H new ATOM 0 HA ILE B 181 -0.499 4.138 8.988 1.00 34.15 H new ATOM 0 HB ILE B 181 -0.771 6.759 7.474 1.00 14.05 H new ATOM 0 HG12 ILE B 181 1.209 4.418 7.544 1.00 61.11 H new ATOM 0 HG13 ILE B 181 -0.020 4.688 6.324 1.00 61.11 H new ATOM 0 HG21 ILE B 181 1.308 7.650 8.196 1.00 32.31 H new ATOM 0 HG22 ILE B 181 0.071 7.625 9.475 1.00 32.31 H new ATOM 0 HG23 ILE B 181 1.391 6.432 9.491 1.00 32.31 H new ATOM 0 HD11 ILE B 181 2.187 5.429 5.523 1.00 35.51 H new ATOM 0 HD12 ILE B 181 1.078 6.813 5.669 1.00 35.51 H new ATOM 0 HD13 ILE B 181 2.326 6.539 6.908 1.00 35.51 H new ATOM 2171 N ARG B 182 -0.585 5.382 11.161 1.00 44.44 N ATOM 2172 CA ARG B 182 -0.754 5.858 12.521 1.00 52.43 C ATOM 2173 C ARG B 182 -0.198 7.268 12.656 1.00 60.34 C ATOM 2174 O ARG B 182 0.902 7.556 12.174 1.00 64.12 O ATOM 2175 CB ARG B 182 -0.056 4.882 13.470 1.00 32.11 C ATOM 2176 CG ARG B 182 -0.742 3.507 13.496 1.00 41.24 C ATOM 2177 CD ARG B 182 -2.212 3.532 13.960 1.00 15.11 C ATOM 2178 NE ARG B 182 -2.340 3.927 15.369 1.00 31.54 N ATOM 2179 CZ ARG B 182 -2.106 3.147 16.432 1.00 3.11 C ATOM 2180 NH1 ARG B 182 -1.770 1.862 16.290 1.00 61.23 N ATOM 2181 NH2 ARG B 182 -2.190 3.663 17.647 1.00 1.21 N ATOM 0 H ARG B 182 0.236 4.789 11.042 1.00 44.44 H new ATOM 0 HA ARG B 182 -1.812 5.903 12.779 1.00 52.43 H new ATOM 0 HB2 ARG B 182 0.983 4.762 13.165 1.00 32.11 H new ATOM 0 HB3 ARG B 182 -0.046 5.301 14.476 1.00 32.11 H new ATOM 0 HG2 ARG B 182 -0.697 3.074 12.497 1.00 41.24 H new ATOM 0 HG3 ARG B 182 -0.178 2.847 14.155 1.00 41.24 H new ATOM 0 HD2 ARG B 182 -2.777 4.225 13.337 1.00 15.11 H new ATOM 0 HD3 ARG B 182 -2.653 2.545 13.819 1.00 15.11 H new ATOM 0 HE ARG B 182 -2.635 4.886 15.555 1.00 31.54 H new ATOM 0 HH11 ARG B 182 -1.687 1.457 15.358 1.00 61.23 H new ATOM 0 HH12 ARG B 182 -1.596 1.286 17.114 1.00 61.23 H new ATOM 0 HH21 ARG B 182 -2.431 4.647 17.768 1.00 1.21 H new ATOM 0 HH22 ARG B 182 -2.014 3.077 18.463 1.00 1.21 H new ATOM 2195 N MET B 183 -0.970 8.123 13.316 1.00 13.24 N ATOM 2196 CA MET B 183 -0.729 9.533 13.603 1.00 34.45 C ATOM 2197 C MET B 183 -1.929 10.001 14.442 1.00 4.03 C ATOM 2198 O MET B 183 -2.624 9.156 15.025 1.00 34.41 O ATOM 2199 CB MET B 183 -0.565 10.316 12.279 1.00 4.32 C ATOM 2200 CG MET B 183 -1.714 10.175 11.276 1.00 35.35 C ATOM 2201 SD MET B 183 -3.104 11.306 11.565 1.00 11.25 S ATOM 2202 CE MET B 183 -4.396 10.136 12.044 1.00 35.22 C ATOM 0 H MET B 183 -1.865 7.818 13.700 1.00 13.24 H new ATOM 0 HA MET B 183 0.193 9.704 14.159 1.00 34.45 H new ATOM 0 HB2 MET B 183 -0.442 11.373 12.516 1.00 4.32 H new ATOM 0 HB3 MET B 183 0.356 9.989 11.797 1.00 4.32 H new ATOM 0 HG2 MET B 183 -1.326 10.344 10.272 1.00 35.35 H new ATOM 0 HG3 MET B 183 -2.083 9.150 11.306 1.00 35.35 H new ATOM 0 HE1 MET B 183 -5.128 10.640 12.675 1.00 35.22 H new ATOM 0 HE2 MET B 183 -4.890 9.753 11.151 1.00 35.22 H new ATOM 0 HE3 MET B 183 -3.951 9.308 12.595 1.00 35.22 H new ATOM 2212 N ALA B 184 -2.139 11.312 14.548 1.00 41.01 N ATOM 2213 CA ALA B 184 -3.229 11.969 15.250 1.00 43.41 C ATOM 2214 C ALA B 184 -3.628 13.185 14.408 1.00 0.33 C ATOM 2215 O ALA B 184 -2.752 13.826 13.819 1.00 55.11 O ATOM 2216 CB ALA B 184 -2.753 12.415 16.628 1.00 2.45 C ATOM 0 H ALA B 184 -1.507 11.985 14.115 1.00 41.01 H new ATOM 0 HA ALA B 184 -4.077 11.298 15.386 1.00 43.41 H new ATOM 0 HB1 ALA B 184 -3.571 12.908 17.154 1.00 2.45 H new ATOM 0 HB2 ALA B 184 -2.426 11.546 17.199 1.00 2.45 H new ATOM 0 HB3 ALA B 184 -1.921 13.111 16.518 1.00 2.45 H new ATOM 2222 N GLU B 185 -4.916 13.517 14.329 1.00 64.20 N ATOM 2223 CA GLU B 185 -5.457 14.648 13.581 1.00 42.01 C ATOM 2224 C GLU B 185 -6.796 15.057 14.171 1.00 53.44 C ATOM 2225 O GLU B 185 -7.306 14.327 15.048 1.00 51.41 O ATOM 2226 CB GLU B 185 -5.596 14.336 12.081 1.00 21.53 C ATOM 2227 CG GLU B 185 -6.768 13.414 11.696 1.00 73.22 C ATOM 2228 CD GLU B 185 -6.950 13.444 10.180 1.00 2.11 C ATOM 2229 OE1 GLU B 185 -7.572 14.419 9.696 1.00 64.11 O ATOM 2230 OE2 GLU B 185 -6.359 12.588 9.485 1.00 54.44 O ATOM 0 H GLU B 185 -5.641 12.981 14.806 1.00 64.20 H new ATOM 0 HA GLU B 185 -4.754 15.476 13.668 1.00 42.01 H new ATOM 0 HB2 GLU B 185 -5.706 15.277 11.542 1.00 21.53 H new ATOM 0 HB3 GLU B 185 -4.669 13.878 11.737 1.00 21.53 H new ATOM 0 HG2 GLU B 185 -6.571 12.396 12.031 1.00 73.22 H new ATOM 0 HG3 GLU B 185 -7.682 13.741 12.191 1.00 73.22 H new TER 2237 GLU B 185